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

Systemtic Name: 3-[2-[4-(phenylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-(benzenesulfonamido)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(benzenesulfonamido)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-(benzenesulfonamido)phenyl]thio]propanoylamino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

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