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

Systemtic Name: 4-chloranyl-N-[(2,5-dimethylphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(2,5-dimethylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(2,5-dimethylphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(2,5-dimethylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2,5-dimethylbenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-15-6-7-16(2)17(13-15)14-24(20-5-3-4-12-23-21(20)25)28(26,27)19-10-8-18(22)9-11-19/h6-11,13,20H,3-5,12,14H2,1-2H3,(H,23,25)