3-chloranyl-N-(1,3-dimethyl-2-oxidanylidene-6-phenylsulfanyl-benzimidazol-5-yl)-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(1,3-dimethyl-2-oxidanylidene-6-phenylsulfanyl-benzimidazol-5-yl)-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-N-(1,3-dimethyl-2-oxo-6-phenylsulfanyl-benzimidazol-5-yl)-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(phenylthio)-5-benzimidazolyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[2-keto-1,3-dimethyl-6-(phenylthio)benzimidazol-5-yl]benzenesulfonamide Formula: C21H17ClFN3O3S2 MolecularWeight: 477.959383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)SC3=CC=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)SC3=CC=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN3O3S2/c1-25-18-11-17(24-31(28,29)14-8-9-16(23)15(22)10-14)20(12-19(18)26(2)21(25)27)30-13-6-4-3-5-7-13/h3-12,24H,1-2H3