(2-methyl-5-methylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methyl-5-methylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O3S/c1-13-4-5-14(25(2,23)24)12-15(13)16(22)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11H2,1-2H3