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

Systemtic Name: 2-(4-propan-2-ylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(4-isopropylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(4-propan-2-ylphenoxy)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(4-propan-2-ylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(4-isopropylphenoxy)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]acetamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4S/c1-18(2)19-5-7-20(8-6-19)31-17-21(28)23-11-4-16-32(29,30)27-14-12-26(13-15-27)22-24-9-3-10-25-22/h3,5-10,18H,4,11-17H2,1-2H3,(H,23,28)