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

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[(2,4,5-trimethylphenyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-(2,4,5-trimethylbenzyl)benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-15-12-17(3)18(13-16(15)2)14-25(21-6-4-5-11-24-22(21)26)29(27,28)20-9-7-19(23)8-10-20/h7-10,12-13,21H,4-6,11,14H2,1-3H3,(H,24,26)