2,4-dimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2,4-dimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2,4-dimethoxy-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2,4-dimethoxy-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C20H27N5O5S/c1-29-16-5-6-17(18(15-16)30-2)19(26)21-9-4-14-31(27,28)25-12-10-24(11-13-25)20-22-7-3-8-23-20/h3,5-8,15H,4,9-14H2,1-2H3,(H,21,26)