(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(4-tosylpiperazino)methanone Formula: C17H19ClN4O3S2 MolecularWeight: 426.94076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C17H19ClN4O3S2/c1-12-3-5-13(6-4-12)27(24,25)22-9-7-21(8-10-22)16(23)15-14(18)11-19-17(20-15)26-2/h3-6,11H,7-10H2,1-2H3