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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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