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

Systemtic Name: 2-methylsulfanyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 2-methylsulfanyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 2-(methylthio)-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 2-(methylthio)-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O3S2/c1-27-16-6-3-2-5-15(16)17(24)19-9-14-28(25,26)23-12-10-22(11-13-23)18-20-7-4-8-21-18/h2-8H,9-14H2,1H3,(H,19,24)