N-[3-chloranyl-1-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-azepan-3-yl]benzenesulfonamide

Systemtic Name: N-[3-chloranyl-1-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-azepan-3-yl]benzenesulfonamide Openeye Name: N-[3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-oxo-azepan-3-yl]benzenesulfonamide CAS Name: N-[3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: N-[3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: N-(3-chloro-2-keto-1-veratryl-azepan-3-yl)benzenesulfonamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCCC(C2=O)(NS(=O)(=O)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCCC(C2=O)(NS(=O)(=O)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-18-11-10-16(14-19(18)29-2)15-24-13-7-6-12-21(22,20(24)25)23-30(26,27)17-8-4-3-5-9-17/h3-5,8-11,14,23H,6-7,12-13,15H2,1-2H3