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

Systemtic Name: 3,4,5-trimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C21H29N5O6S MolecularWeight: 479.54986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O6S/c1-30-17-14-16(15-18(31-2)19(17)32-3)20(27)22-8-5-13-33(28,29)26-11-9-25(10-12-26)21-23-6-4-7-24-21/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,27)