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

Systemtic Name: 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(4-sec-butylphenyl)sulfonylpiperazino]ethanone Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H30N4O3S2/c1-5-16(2)19-6-8-20(9-7-19)31(28,29)26-12-10-25(11-13-26)21(27)15-30-22-23-17(3)14-18(4)24-22/h6-9,14,16H,5,10-13,15H2,1-4H3