2-(3-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(m-tolylsulfonyl)-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(m-tolylsulfonyl)-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC4=CC=NC=C4

InChI

InChI=1S/C22H22N2O2S/c1-17-5-4-7-20(15-17)27(25,26)24-14-11-19-6-2-3-8-21(19)22(24)16-18-9-12-23-13-10-18/h2-10,12-13,15,22H,11,14,16H2,1H3