4-(4-methylphenyl)sulfonyl-3-(propanoylamino)benzoic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-(propanoylamino)benzoic acid Openeye Name: 3-(propanoylamino)-4-(p-tolylsulfonyl)benzoic acid CAS Name: 4-(4-methylphenyl)sulfonyl-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-(4-methylphenyl)sulfonyl-3-(propanoylamino)benzoic acid Traditional Name: 3-propionamido-4-tosyl-benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H17NO5S/c1-3-16(19)18-14-10-12(17(20)21)6-9-15(14)24(22,23)13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)