3-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]benzoic acid Openeye Name: 3-[[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]amino]benzoic acid CAS Name: 3-[[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid Traditional Name: 3-[[(E)-C-phenyl-N-tosyl-carbonimidoyl]amino]benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4S/c1-15-10-12-19(13-11-15)28(26,27)23-20(16-6-3-2-4-7-16)22-18-9-5-8-17(14-18)21(24)25/h2-14H,1H3,(H,22,23)(H,24,25)