2-methylsulfonyl-6-[3-(1-pyrimidin-5-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methylsulfonyl-6-[3-(1-pyrimidin-5-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methylsulfonyl-6-[3-(1-pyrimidin-5-yl-4-piperidyl)propoxy]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methylsulfonyl-6-[3-[1-(5-pyrimidinyl)-4-piperidinyl]propoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methylsulfonyl-6-[3-(1-pyrimidin-5-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesyl-6-[3-[1-(5-pyrimidyl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline Formula: C22H30N4O3S MolecularWeight: 430.5636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=CN=CN=C4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=CN=CN=C4

InChI

InChI=1S/C22H30N4O3S/c1-30(27,28)26-11-8-19-13-22(5-4-20(19)16-26)29-12-2-3-18-6-9-25(10-7-18)21-14-23-17-24-15-21/h4-5,13-15,17-18H,2-3,6-12,16H2,1H3