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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-ethoxyphenyl)-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-4-fluoro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-fluoro-N-p-phenetyl-benzenesulfonamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-2-29-20-11-9-19(10-12-20)25(17-22(26)24-15-5-3-4-6-16-24)30(27,28)21-13-7-18(23)8-14-21/h7-14H,2-6,15-17H2,1H3