3-(4-methoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]propionamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O4S/c1-30-19-7-4-18(5-8-19)6-9-20(27)22-12-3-17-31(28,29)26-15-13-25(14-16-26)21-23-10-2-11-24-21/h2,4-5,7-8,10-11H,3,6,9,12-17H2,1H3,(H,22,27)