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

Systemtic Name: (5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-propylsulfonyl-pyrimidin-4-yl)methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-(5-chloro-2-propylsulfonyl-4-pyrimidinyl)methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-propylsulfonylpyrimidin-4-yl)methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-(5-chloro-2-propylsulfonyl-pyrimidin-4-yl)methanone Formula: C18H20Cl2N4O3S MolecularWeight: 443.3474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N4O3S/c1-2-10-28(26,27)18-21-12-15(20)16(22-18)17(25)24-8-6-23(7-9-24)14-5-3-4-13(19)11-14/h3-5,11-12H,2,6-10H2,1H3