2-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[2-(4-chlorophenyl)sulfonylethylthio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[2-(4-chlorophenyl)sulfonylethylthio]phenyl]carbamoyl]benzoic acid Formula: C22H18ClNO5S2 MolecularWeight: 475.96502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H18ClNO5S2/c23-15-9-11-16(12-10-15)31(28,29)14-13-30-20-8-4-3-7-19(20)24-21(25)17-5-1-2-6-18(17)22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)