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

Systemtic Name: 2-methylsulfonyl-6-[3-[1-(5-phenylpyrimidin-2-yl)piperidin-4-yl]propoxy]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methylsulfonyl-6-[3-[1-(5-phenylpyrimidin-2-yl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methylsulfonyl-6-[3-[1-(5-phenyl-2-pyrimidinyl)-4-piperidinyl]propoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methylsulfonyl-6-[3-[1-(5-phenylpyrimidin-2-yl)piperidin-4-yl]propoxy]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesyl-6-[3-[1-(5-phenylpyrimidin-2-yl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline Formula: C28H34N4O3S MolecularWeight: 506.65956

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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)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N4O3S/c1-36(33,34)32-16-13-24-18-27(10-9-25(24)21-32)35-17-5-6-22-11-14-31(15-12-22)28-29-19-26(20-30-28)23-7-3-2-4-8-23/h2-4,7-10,18-20,22H,5-6,11-17,21H2,1H3