4-[[3-[2-(4-methylphenyl)sulfonylethylsulfanyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[2-(4-methylphenyl)sulfonylethylsulfanyl]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[2-(p-tolylsulfonyl)ethylsulfanyl]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[2-(4-methylphenyl)sulfonylethylthio]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-(2-tosylethylthio)benzoyl]amino]benzoic acid Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H21NO5S2/c1-16-5-11-21(12-6-16)31(28,29)14-13-30-20-4-2-3-18(15-20)22(25)24-19-9-7-17(8-10-19)23(26)27/h2-12,15H,13-14H2,1H3,(H,24,25)(H,26,27)