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

Systemtic Name: 3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 3-[2-(disulfanyl)propyl]-4-(p-tolylsulfonylamino)benzoic acid CAS Name: 3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[2-(disulfanyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[2-(disulfanyl)propyl]-4-(tosylamino)benzoic acid Formula: C17H19NO4S3 MolecularWeight: 397.53206

Click to see the large picture

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)