3-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(p-tolylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(tosylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H20N2O5S2/c1-15-5-11-20(12-6-15)31(28,29)24-17-7-9-19(10-8-17)30-14-21(25)23-18-4-2-3-16(13-18)22(26)27/h2-13,24H,14H2,1H3,(H,23,25)(H,26,27)