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

Systemtic Name: 2-(3-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(m-tolyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(3-methylphenyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(3-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(m-tolyl)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-17-5-2-6-18(15-17)16-19(26)21-9-4-14-29(27,28)25-12-10-24(11-13-25)20-22-7-3-8-23-20/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,21,26)