3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide

Systemtic Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide Openeye Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide CAS Name: 3-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylthiolane 1,1-dioxide IUPAC Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide Traditional Name: 3-[3-[4-(2-pyrimidyl)piperazino]sulfonylphenyl]sulfonylsulfolane Formula: C18H22N4O6S3 MolecularWeight: 486.58548

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H22N4O6S3/c23-29(24)12-5-17(14-29)30(25,26)15-3-1-4-16(13-15)31(27,28)22-10-8-21(9-11-22)18-19-6-2-7-20-18/h1-4,6-7,13,17H,5,8-12,14H2