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

Systemtic Name: 4-chloranyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide Openeye Name: 4-chloro-N-[1-(hydroxymethyl)-2-methyl-butyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide CAS Name: 4-chloro-N-(1-hydroxy-3-methylpentan-2-yl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(1-hydroxy-3-methylpentan-2-yl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-methyl-1-methylol-butyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)N(CC#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)C(CO)N(CC#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-3-17(2)21(16-24)23(15-7-10-18-8-5-4-6-9-18)27(25,26)20-13-11-19(22)12-14-20/h4-6,8-9,11-14,17,21,24H,3,15-16H2,1-2H3