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

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(4-isopropylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-(4-isopropylbenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S/c1-16(2)18-8-6-17(7-9-18)15-25(21-5-3-4-14-24-22(21)26)29(27,28)20-12-10-19(23)11-13-20/h6-13,16,21H,3-5,14-15H2,1-2H3,(H,24,26)