2-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylbenzoic acid

Systemtic Name: 2-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylbenzoic acid Openeye Name: 2-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]sulfanylbenzoic acid CAS Name: 2-[[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]thio]benzoic acid IUPAC Name: 2-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]sulfanylbenzoic acid Traditional Name: 2-[[(E)-C-phenyl-N-tosyl-carbonimidoyl]thio]benzoic acid Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H17NO4S2/c1-15-11-13-17(14-12-15)28(25,26)22-20(16-7-3-2-4-8-16)27-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3,(H,23,24)/b22-20+