[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(3R)-2-mesyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3S/c1-28(26,27)24-14-16-6-3-2-5-15(16)13-17(24)18(25)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h2-8,17H,9-14H2,1H3/t17-/m1/s1