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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N4O3S/c1-30(27,28)26-14-9-19-16-21(6-5-20(19)17-26)29-15-2-4-18-7-12-25(13-8-18)22-23-10-3-11-24-22/h3,5-6,10-11,16,18H,2,4,7-9,12-15,17H2,1H3