2-chloranyl-5-[[2-phenyl-2-[4-(phenylsulfonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-phenyl-2-[4-(phenylsulfonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 5-[[2-[4-(benzenesulfonamido)phenyl]sulfanyl-2-phenyl-acetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-[4-(benzenesulfonamido)phenyl]sulfanyl-2-phenylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[[4-(benzenesulfonamido)phenyl]thio]-2-phenyl-acetyl]amino]-2-chloro-benzoic acid Formula: C27H21ClN2O5S2 MolecularWeight: 553.04904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H21ClN2O5S2/c28-24-16-13-20(17-23(24)27(32)33)29-26(31)25(18-7-3-1-4-8-18)36-21-14-11-19(12-15-21)30-37(34,35)22-9-5-2-6-10-22/h1-17,25,30H,(H,29,31)(H,32,33)