1-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]sulfonyl-pyrrole-2-carboxamide Formula: C20H27N7O4S MolecularWeight: 461.53788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H27N7O4S/c1-24-14-16(13-17(24)18(21)28)32(30,31)27-7-3-15(4-8-27)19(29)25-9-11-26(12-10-25)20-22-5-2-6-23-20/h2,5-6,13-15H,3-4,7-12H2,1H3,(H2,21,28)