4-chloranyl-N-[(3,5-dimethoxyphenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3,5-dimethoxyphenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(3,5-dimethoxybenzyl)-N-[(3R)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1)CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-17-11-15(12-18(13-17)29-2)14-24(20-5-3-4-10-23-21(20)25)30(26,27)19-8-6-16(22)7-9-19/h6-9,11-13,20H,3-5,10,14H2,1-2H3,(H,23,25)/t20-/m1/s1