N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-fluorophenyl)-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-fluorophenyl)-3,4-dimethoxy-benzenesulfonamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C22H27FN2O5S/c1-29-20-12-11-17(15-21(20)30-2)31(27,28)25(19-10-6-5-9-18(19)23)16-22(26)24-13-7-3-4-8-14-24/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3