2-(4-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(4-ethoxyphenyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-p-phenetyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]acetamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S/c1-2-30-19-7-5-18(6-8-19)17-20(27)22-11-4-16-31(28,29)26-14-12-25(13-15-26)21-23-9-3-10-24-21/h3,5-10H,2,4,11-17H2,1H3,(H,22,27)