1-[1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidin-3-yl]but-2-yn-1-one

Systemtic Name: 1-[1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidin-3-yl]but-2-yn-1-one Openeye Name: 1-[1-[1-(benzenesulfonyl)-4-methyl-pentyl]-3-piperidyl]but-2-yn-1-one CAS Name: 1-[1-[1-(benzenesulfonyl)-4-methylpentyl]-3-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[1-[1-(benzenesulfonyl)-4-methylpentyl]piperidin-3-yl]but-2-yn-1-one Traditional Name: 1-[1-(1-besyl-4-methyl-pentyl)-3-piperidyl]but-2-yn-1-one Formula: C21H29NO3S MolecularWeight: 375.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)C1CCCN(C1)C(CCC(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC#CC(=O)C1CCCN(C1)C(CCC(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO3S/c1-4-9-20(23)18-10-8-15-22(16-18)21(14-13-17(2)3)26(24,25)19-11-6-5-7-12-19/h5-7,11-12,17-18,21H,8,10,13-16H2,1-3H3