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

Systemtic Name: 3,4-diethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 3,4-diethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 3,4-diethoxy-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3,4-diethoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 3,4-diethoxy-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

InChI

InChI=1S/C22H31N5O5S/c1-3-31-19-8-7-18(17-20(19)32-4-2)21(28)23-11-6-16-33(29,30)27-14-12-26(13-15-27)22-24-9-5-10-25-22/h5,7-10,17H,3-4,6,11-16H2,1-2H3,(H,23,28)