4-chloranyl-N-[(2-ethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2-ethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ethoxybenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-2-28-20-9-4-3-7-16(20)15-24(19-8-5-6-14-23-21(19)25)29(26,27)18-12-10-17(22)11-13-18/h3-4,7,9-13,19H,2,5-6,8,14-15H2,1H3,(H,23,25)