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

Systemtic Name: 6-[3-[1-(2-methoxypyrimidin-5-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[3-[1-(2-methoxypyrimidin-5-yl)-4-piperidyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[3-[1-(2-methoxy-5-pyrimidinyl)-4-piperidinyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[3-[1-(2-methoxypyrimidin-5-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesyl-6-[3-[1-(2-methoxypyrimidin-5-yl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

COC1=NC=C(C=N1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C23H32N4O4S/c1-30-23-24-15-21(16-25-23)26-10-7-18(8-11-26)4-3-13-31-22-6-5-20-17-27(32(2,28)29)12-9-19(20)14-22/h5-6,14-16,18H,3-4,7-13,17H2,1-2H3