4-chloranyl-N-[(3-cyano-4-fluoranyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3-cyano-4-fluoranyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3-cyano-4-fluoro-phenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(3-cyano-4-fluoro-benzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C20H19ClFN3O3S MolecularWeight: 435.899563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=C(C=C2)F)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC(=C(C=C2)F)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClFN3O3S/c21-16-5-7-17(8-6-16)29(27,28)25(19-3-1-2-10-24-20(19)26)13-14-4-9-18(22)15(11-14)12-23/h4-9,11,19H,1-3,10,13H2,(H,24,26)