(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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