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

Systemtic Name: 3-cyano-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3-cyano-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3-cyano-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-cyano-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3-cyano-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H20N6O3S/c19-14-15-3-1-4-16(13-15)17(25)20-7-12-28(26,27)24-10-8-23(9-11-24)18-21-5-2-6-22-18/h1-6,13H,7-12H2,(H,20,25)