2-(3-methylphenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-(3-methylphenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(m-tolyl)-N-[3-[4-(2-pyridyl)piperazin-1-yl]sulfonylpropyl]acetamide CAS Name: 2-(3-methylphenyl)-N-[3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(3-methylphenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(m-tolyl)-N-[3-[4-(2-pyridyl)piperazino]sulfonylpropyl]acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N4O3S/c1-18-6-4-7-19(16-18)17-21(26)23-10-5-15-29(27,28)25-13-11-24(12-14-25)20-8-2-3-9-22-20/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,23,26)