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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H23FN2O6S MolecularWeight: 462.491223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O6S/c1-24(2)32(29,30)18-7-5-6-16(14-18)22(28)31-19-8-3-4-13-25(21(19)27)20(26)15-9-11-17(23)12-10-15/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3