2,3-bis(sulfanyl)propyl 4-[(phenylmethyl)sulfonylamino]benzoate

Systemtic Name: 2,3-bis(sulfanyl)propyl 4-[(phenylmethyl)sulfonylamino]benzoate Openeye Name: 2,3-bis(sulfanyl)propyl 4-(benzylsulfonylamino)benzoate CAS Name: 4-[(phenylmethyl)sulfonylamino]benzoic acid 2,3-dimercaptopropyl ester IUPAC Name: 2,3-bis(sulfanyl)propyl 4-(benzylsulfonylamino)benzoate Traditional Name: 4-(benzylsulfonylamino)benzoic acid 2,3-dimercaptopropyl ester Formula: C17H19NO4S3 MolecularWeight: 397.53206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(CS)S

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(CS)S

InChI

InChI=1S/C17H19NO4S3/c19-17(22-10-16(24)11-23)14-6-8-15(9-7-14)18-25(20,21)12-13-4-2-1-3-5-13/h1-9,16,18,23-24H,10-12H2