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

Systemtic Name: 6-[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[2-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[2-[1-(5-ethyl-2-pyrimidinyl)-4-piperidinyl]ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[2-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]ethoxy]-2-mesyl-3,4-dihydro-1H-isoquinoline Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)CCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)CCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C23H32N4O3S/c1-3-18-15-24-23(25-16-18)26-10-6-19(7-11-26)9-13-30-22-5-4-21-17-27(31(2,28)29)12-8-20(21)14-22/h4-5,14-16,19H,3,6-13,17H2,1-2H3