2-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[1-(m-tolylsulfonyl)-4-piperidyl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[1-(3-methylphenyl)sulfonyl-4-piperidinyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[1-(m-tolylsulfonyl)-4-piperidyl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O2S/c1-18-5-4-8-22(15-18)27(25,26)24-13-9-19(10-14-24)16-23-12-11-20-6-2-3-7-21(20)17-23/h2-8,15,19H,9-14,16-17H2,1H3