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

Systemtic Name: 2-methylsulfonyl-6-[3-(1-pyrimidin-4-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methylsulfonyl-6-[3-(1-pyrimidin-4-yl-4-piperidyl)propoxy]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methylsulfonyl-6-[3-[1-(4-pyrimidinyl)-4-piperidinyl]propoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methylsulfonyl-6-[3-(1-pyrimidin-4-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesyl-6-[3-[1-(4-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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-30(27,28)26-13-9-19-15-21(5-4-20(19)16-26)29-14-2-3-18-7-11-25(12-8-18)22-6-10-23-17-24-22/h4-6,10,15,17-18H,2-3,7-9,11-14,16H2,1H3