5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-benzoic acid

Systemtic Name: 5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-benzoic acid Openeye Name: 5-(benzylsulfonylamino)-2-phenylsulfanyl-benzoic acid CAS Name: 5-[(phenylmethyl)sulfonylamino]-2-(phenylthio)benzoic acid IUPAC Name: 5-(benzylsulfonylamino)-2-phenylsulfanylbenzoic acid Traditional Name: 5-(benzylsulfonylamino)-2-(phenylthio)benzoic acid Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H17NO4S2/c22-20(23)18-13-16(11-12-19(18)26-17-9-5-2-6-10-17)21-27(24,25)14-15-7-3-1-4-8-15/h1-13,21H,14H2,(H,22,23)