3-(azepan-1-ylcarbonyl)-N-(2-fluorophenyl)-4,5-dimethoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-fluorophenyl)-4,5-dimethoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-fluorophenyl)-4,5-dimethoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-fluorophenyl)-4,5-dimethoxy-benzenesulfonamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H25FN2O5S/c1-28-19-14-15(30(26,27)23-18-10-6-5-9-17(18)22)13-16(20(19)29-2)21(25)24-11-7-3-4-8-12-24/h5-6,9-10,13-14,23H,3-4,7-8,11-12H2,1-2H3