4-butoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-butoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 4-butoxy-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-butoxy-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O4S/c1-2-3-16-30-19-7-5-18(6-8-19)20(27)22-11-17-31(28,29)26-14-12-25(13-15-26)21-23-9-4-10-24-21/h4-10H,2-3,11-17H2,1H3,(H,22,27)