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

Systemtic Name: 4-chloranyl-3-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[[4-(benzenesulfonamido)phenyl]thio]acetyl]amino]-4-chloro-benzoic acid Formula: C21H17ClN2O5S2 MolecularWeight: 476.95308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S2/c22-18-11-6-14(21(26)27)12-19(18)23-20(25)13-30-16-9-7-15(8-10-16)24-31(28,29)17-4-2-1-3-5-17/h1-12,24H,13H2,(H,23,25)(H,26,27)