N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)-4-methoxy-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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