2-chloranyl-5-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 5-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[[4-(benzenesulfonamido)phenyl]thio]acetyl]amino]-2-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=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

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