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

Systemtic Name: 4-fluoranyl-N-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-N-methyl-benzenesulfonamide Openeye Name: 4-fluoro-N-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide CAS Name: 4-fluoro-N-[2-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide Traditional Name: 4-fluoro-N-[2-keto-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCCCC1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)N1CCCCC[C@H]1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-24(30(27,28)20-13-9-18(23)10-14-20)16-22(26)25-15-5-3-4-6-21(25)17-7-11-19(29-2)12-8-17/h7-14,21H,3-6,15-16H2,1-2H3/t21-/m0/s1