2-(4-chloranylphenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Openeye Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]propanamide IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Traditional Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]propionamide Formula: C21H28ClN5O4S MolecularWeight: 481.99612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCCS(=O)(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NCCCS(=O)(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5O4S/c1-21(2,31-18-7-5-17(22)6-8-18)19(28)23-11-4-16-32(29,30)27-14-12-26(13-15-27)20-24-9-3-10-25-20/h3,5-10H,4,11-16H2,1-2H3,(H,23,28)