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

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 4-(difluoromethylthio)-N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-(difluoromethylthio)-N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]benzamide Formula: C19H22F2N4O3S2 MolecularWeight: 456.529786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C19H22F2N4O3S2/c20-19(21)29-16-6-4-15(5-7-16)18(26)23-9-14-30(27,28)25-12-10-24(11-13-25)17-3-1-2-8-22-17/h1-8,19H,9-14H2,(H,23,26)