N-[2-(azepan-1-ylcarbonyl)-4,5-dimethoxy-phenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-4,5-dimethoxy-phenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)-4,5-dimethoxy-phenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)-4,5-dimethoxy-phenyl]-N-(2-fluorobenzyl)methanesulfonamide Formula: C23H29FN2O5S MolecularWeight: 464.550163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCCCC2)N(CC3=CC=CC=C3F)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCCCCC2)N(CC3=CC=CC=C3F)S(=O)(=O)C)OC

InChI

InChI=1S/C23H29FN2O5S/c1-30-21-14-18(23(27)25-12-8-4-5-9-13-25)20(15-22(21)31-2)26(32(3,28)29)16-17-10-6-7-11-19(17)24/h6-7,10-11,14-15H,4-5,8-9,12-13,16H2,1-3H3