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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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