2-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]benzoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]benzoic acid Openeye Name: 2-[(4-hydroxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-hydroxy-4-keto-butyl)-tosyl-amino]benzoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO6S/c1-13-8-10-14(11-9-13)26(24,25)19(12-4-7-17(20)21)16-6-3-2-5-15(16)18(22)23/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,21)(H,22,23)