3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoate

Systemtic Name: 3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoate Openeye Name: 3-[2-(disulfanyl)propyl]-4-(p-tolylsulfonylamino)benzoate CAS Name: 3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoate IUPAC Name: 3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-[2-(disulfanyl)propyl]-4-(tosylamino)benzoate Formula: C17H18NO4S3- MolecularWeight: 396.52412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)[O-])CC(C)SS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)[O-])CC(C)SS

InChI

InChI=1S/C17H19NO4S3/c1-11-3-6-15(7-4-11)25(21,22)18-16-8-5-13(17(19)20)10-14(16)9-12(2)24-23/h3-8,10,12,18,23H,9H2,1-2H3,(H,19,20)/p-1