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

Systemtic Name: (2-chloranyl-5-methylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-chloro-5-methylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (2-chloro-5-methylsulfonylphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-chloro-5-mesyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H17ClN4O3S/c1-25(23,24)12-3-4-14(17)13(11-12)15(22)20-7-9-21(10-8-20)16-18-5-2-6-19-16/h2-6,11H,7-10H2,1H3