2-(2,5-dimethylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(2,5-dimethylphenoxy)-N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]acetamide CAS Name: 2-(2,5-dimethylphenoxy)-N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(2,5-dimethylphenoxy)-N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]acetamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N4O4S/c1-17-6-7-18(2)19(15-17)29-16-21(26)23-9-14-30(27,28)25-12-10-24(11-13-25)20-5-3-4-8-22-20/h3-8,15H,9-14,16H2,1-2H3,(H,23,26)