N-[2-[2-(5,5-dimethoxypent-1-yn-3-yl)phenyl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[2-(5,5-dimethoxypent-1-yn-3-yl)phenyl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[2-[1-(2,2-dimethoxyethyl)prop-2-ynyl]phenyl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[2-(5,5-dimethoxypent-1-yn-3-yl)phenyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[2-(5,5-dimethoxypent-1-yn-3-yl)phenyl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[2-[1-(2,2-dimethoxyethyl)prop-2-ynyl]phenyl]ethyl]-4-methyl-benzenesulfonamide Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2C(CC(OC)OC)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2C(CC(OC)OC)C#C

InChI

InChI=1S/C22H27NO4S/c1-5-18(16-22(26-3)27-4)21-9-7-6-8-19(21)14-15-23-28(24,25)20-12-10-17(2)11-13-20/h1,6-13,18,22-23H,14-16H2,2-4H3