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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C20H18ClFN2O6S MolecularWeight: 468.883123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18ClFN2O6S/c21-16-9-8-14(31(23,28)29)11-15(16)20(27)30-17-3-1-2-10-24(19(17)26)18(25)12-4-6-13(22)7-5-12/h4-9,11,17H,1-3,10H2,(H2,23,28,29)