2-[bis(fluoranyl)methylsulfanyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2-(difluoromethylthio)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2-(difluoromethylthio)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C19H23F2N5O3S2 MolecularWeight: 471.544426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3SC(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3SC(F)F

InChI

InChI=1S/C19H23F2N5O3S2/c20-18(21)30-16-6-2-1-5-15(16)17(27)22-9-4-14-31(28,29)26-12-10-25(11-13-26)19-23-7-3-8-24-19/h1-3,5-8,18H,4,9-14H2,(H,22,27)