4-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoic acid Openeye Name: 4-[[2-(4-methylanilino)-2-oxo-ethyl]sulfonylmethyl]benzoic acid CAS Name: 4-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoic acid IUPAC Name: 4-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoic acid Traditional Name: 4-[[2-keto-2-(p-toluidino)ethyl]sulfonylmethyl]benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO5S/c1-12-2-8-15(9-3-12)18-16(19)11-24(22,23)10-13-4-6-14(7-5-13)17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)