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

Systemtic Name: 3,4-diethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3,4-diethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3,4-diethoxy-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3,4-diethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3,4-diethoxy-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5S/c1-3-30-18-7-6-17(16-19(18)31-4-2)20(27)22-10-15-32(28,29)26-13-11-25(12-14-26)21-23-8-5-9-24-21/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,27)