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

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 2-(difluoromethylthio)-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 2-(difluoromethylthio)-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C18H21F2N5O3S2 MolecularWeight: 457.517846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F2N5O3S2/c19-17(20)29-15-5-2-1-4-14(15)16(26)21-8-13-30(27,28)25-11-9-24(10-12-25)18-22-6-3-7-23-18/h1-7,17H,8-13H2,(H,21,26)