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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(CS)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(CS)S

InChI

InChI=1S/C17H19NO4S3/c1-12-2-8-16(9-3-12)25(20,21)18-14-6-4-13(5-7-14)17(19)22-10-15(24)11-23/h2-9,15,18,23-24H,10-11H2,1H3