1442393
  DSViewer          2D                             0

 36 38  0  0  0  0  0  0  0  0999 V2000
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    7.4223    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  2
    7.2143    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  3
    6.6791    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  4
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    8.0119    1.3547    0.0000 H   0  0  0  0  0  0  0  0  0 26
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    5.1630   -0.9244    0.0000 H   0  0  0  0  0  0  0  0  0 34
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  2  3  2  0  0  0
  2  4  1  0  0  0
  3  5  1  0  0  0
  4  6  2  0  0  0
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  7  9  2  0  0  0
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  8 10  1  0  0  0
  8 13  2  0  0  0
  9 14  1  0  0  0
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 13 15  1  0  0  0
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  4 28  1  0  0  0
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 17 35  1  0  0  0
 17 36  1  0  0  0
M  END
> <PUBCHEM.COMPOUND.ID>
1442393

> <PUBCHEM.ISO.SMILES>
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

> <PUBCHEM.CACTVS.TAU.HASH>
009F98BCEB056F2B

> <PUBCHEM.NIST.INCHI>
INChI=1.12Beta/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h1H3,2-10H,(H2,17,19,20)

> <PUBCHEM.HBOND.ACCEPTOR>
5

> <PUBCHEM.MW>
314.36

> <PUBCHEM.CACTVS.CAN.HASH>
C00027E62F3AC15B

> <PUBCHEM.CACTVS.XLOGP>
3.003

> <PUBCHEM.HBOND.DONOR>
1

> <PUBCHEM.BONDANNOTATIONS>
18  21  8
16  18  8
15  16  8
11  21  8
11  15  8
10  14  8
9  14  8
8  13  8
8  10  8
7  13  8
7  9  8
6  12  8
5  12  8
4  6  8
3  5  8
2  4  8
2  3  8

> <PUBCHEM.CACTVS.STEISO.HASH>
C00027E62F3AC15B

> <PUBCHEM.CAN.SMILES>
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

> <PUBCHEM.CACTVS.ISO.HASH>
C00027E62F3AC15B

> <PUBCHEM.ROTATABLE.BOND>
3

> <PUBCHEM.CACTVS.COMPLEXITY>
452.402

> <PUBCHEM.IUPAC.NAME>
4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide

> <PUBCHEM.MF>
C16H14N2O3S

> <PUBCHEM.CACTVS.STE.HASH>
C00027E62F3AC15B

$$$$