4-chloranyl-N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(3,5-ditert-butyl-4-hydroxy-benzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C27H37ClN2O4S MolecularWeight: 521.11168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H37ClN2O4S/c1-26(2,3)21-15-18(16-22(24(21)31)27(4,5)6)17-30(23-9-7-8-14-29-25(23)32)35(33,34)20-12-10-19(28)11-13-20/h10-13,15-16,23,31H,7-9,14,17H2,1-6H3,(H,29,32)