1-[3-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(6-piperidinopyrimidin-4-yl)piperazino]sulfonylphenyl]ethanone Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C21H27N5O3S/c1-17(27)18-6-5-7-19(14-18)30(28,29)26-12-10-25(11-13-26)21-15-20(22-16-23-21)24-8-3-2-4-9-24/h5-7,14-16H,2-4,8-13H2,1H3