4-chloranyl-N-(4-methyl-1-oxidanyl-pentan-2-yl)-N-(3-phenylbutyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(4-methyl-1-oxidanyl-pentan-2-yl)-N-(3-phenylbutyl)benzenesulfonamide Openeye Name: 4-chloro-N-[1-(hydroxymethyl)-3-methyl-butyl]-N-(3-phenylbutyl)benzenesulfonamide CAS Name: 4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-phenylbutyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-phenylbutyl)benzenesulfonamide Traditional Name: 4-chloro-N-(3-methyl-1-methylol-butyl)-N-(3-phenylbutyl)benzenesulfonamide Formula: C22H30ClNO3S MolecularWeight: 423.9965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N(CCC(C)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(CO)N(CCC(C)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H30ClNO3S/c1-17(2)15-21(16-25)24(14-13-18(3)19-7-5-4-6-8-19)28(26,27)22-11-9-20(23)10-12-22/h4-12,17-18,21,25H,13-16H2,1-3H3