4-methyl-3-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[4-(benzenesulfonamido)phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

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