1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H21ClN4O3S2/c1-13-11-14(2)21-18(20-13)27-12-17(24)22-7-9-23(10-8-22)28(25,26)16-5-3-15(19)4-6-16/h3-6,11H,7-10,12H2,1-2H3