N-[(3,4-dimethoxyphenyl)methyl]-3-fluoranyl-4-methyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoranyl-4-methyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 3-fluoro-N-(2-ketoazepan-3-yl)-4-methyl-N-veratryl-benzenesulfonamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O)F

InChI

InChI=1S/C22H27FN2O5S/c1-15-7-9-17(13-18(15)23)31(27,28)25(19-6-4-5-11-24-22(19)26)14-16-8-10-20(29-2)21(12-16)30-3/h7-10,12-13,19H,4-6,11,14H2,1-3H3,(H,24,26)