N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-28-20-9-5-4-8-19(20)24(16-21(25)23-14-6-2-3-7-15-23)29(26,27)18-12-10-17(22)11-13-18/h4-5,8-13H,2-3,6-7,14-16H2,1H3