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

Systemtic Name: 6-[3-[1-(5-bromanylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[3-[1-(5-bromopyrimidin-2-yl)-4-piperidyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[3-[1-(5-bromo-2-pyrimidinyl)-4-piperidinyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[3-[1-(5-bromopyrimidin-2-yl)-4-piperidyl]propoxy]-2-mesyl-3,4-dihydro-1H-isoquinoline Formula: C22H29BrN4O3S MolecularWeight: 509.45966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN4O3S/c1-31(28,29)27-11-8-18-13-21(5-4-19(18)16-27)30-12-2-3-17-6-9-26(10-7-17)22-24-14-20(23)15-25-22/h4-5,13-15,17H,2-3,6-12,16H2,1H3