(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-ethylsulfonyl-pyrimidin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-[4-(3-chlorophenyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-ethylsulfonylpyrimidin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-esyl-pyrimidin-4-yl)-[4-(3-chlorophenyl)piperazino]methanone Formula: C17H18Cl2N4O3S MolecularWeight: 429.32082

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4O3S/c1-2-27(25,26)17-20-11-14(19)15(21-17)16(24)23-8-6-22(7-9-23)13-5-3-4-12(18)10-13/h3-5,10-11H,2,6-9H2,1H3