(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (1-mesitylsulfonyl-4-piperidyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C23H31N5O3S/c1-17-15-18(2)21(19(3)16-17)32(30,31)28-9-5-20(6-10-28)22(29)26-11-13-27(14-12-26)23-24-7-4-8-25-23/h4,7-8,15-16,20H,5-6,9-14H2,1-3H3