[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H22ClFN2O6S MolecularWeight: 496.936283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22ClFN2O6S/c1-25(2)33(30,31)16-10-11-18(23)17(13-16)22(29)32-19-5-3-4-12-26(21(19)28)20(27)14-6-8-15(24)9-7-14/h6-11,13,19H,3-5,12H2,1-2H3