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

Systemtic Name: 2-methylsulfonyl-6-[3-[1-(5-pentylpyrimidin-2-yl)piperidin-4-yl]propoxy]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methylsulfonyl-6-[3-[1-(5-pentylpyrimidin-2-yl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methylsulfonyl-6-[3-[1-(5-pentyl-2-pyrimidinyl)-4-piperidinyl]propoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methylsulfonyl-6-[3-[1-(5-pentylpyrimidin-2-yl)piperidin-4-yl]propoxy]-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[3-[1-(5-amylpyrimidin-2-yl)-4-piperidyl]propoxy]-2-mesyl-3,4-dihydro-1H-isoquinoline Formula: C27H40N4O3S MolecularWeight: 500.6965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CCCCCC1=CN=C(N=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C27H40N4O3S/c1-3-4-5-7-23-19-28-27(29-20-23)30-14-11-22(12-15-30)8-6-17-34-26-10-9-25-21-31(35(2,32)33)16-13-24(25)18-26/h9-10,18-20,22H,3-8,11-17,21H2,1-2H3