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

Systemtic Name: 3-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 3-bromo-N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-28-19-10-9-15(12-20(19)29-2)14-24(18-8-3-4-11-23-21(18)25)30(26,27)17-7-5-6-16(22)13-17/h5-7,9-10,12-13,18H,3-4,8,11,14H2,1-2H3,(H,23,25)