2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 4-(4-besylpiperazino)-2-methyl-6-piperidino-pyrimidine Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C20H27N5O2S/c1-17-21-19(23-10-6-3-7-11-23)16-20(22-17)24-12-14-25(15-13-24)28(26,27)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3