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

Systemtic Name: 6-[3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[3-[1-(4-methoxypyrimidin-2-yl)-4-piperidyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[3-[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesyl-6-[3-[1-(4-methoxypyrimidin-2-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(=NC=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

COC1=NC(=NC=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

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