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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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