3,4,5-trimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C20H27N5O6S MolecularWeight: 465.52328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O6S/c1-29-16-13-15(14-17(30-2)18(16)31-3)19(26)21-7-12-32(27,28)25-10-8-24(9-11-25)20-22-5-4-6-23-20/h4-6,13-14H,7-12H2,1-3H3,(H,21,26)