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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]acetamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5S/c1-30-18-6-5-17(15-19(18)31-2)16-20(27)22-9-4-14-32(28,29)26-12-10-25(11-13-26)21-23-7-3-8-24-21/h3,5-8,15H,4,9-14,16H2,1-2H3,(H,22,27)