1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O3S/c1-29(27,28)25-9-2-4-16-14-17(5-6-18(16)25)19(26)15-23-10-12-24(13-11-23)20-21-7-3-8-22-20/h3,5-8,14H,2,4,9-13,15H2,1H3