2-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 2-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 2-methyl-4-[4-(m-tolylsulfonyl)piperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 2-methyl-4-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 2-methyl-4-[4-(m-tolylsulfonyl)piperazino]-6-piperidino-pyrimidine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

InChI

InChI=1S/C21H29N5O2S/c1-17-7-6-8-19(15-17)29(27,28)26-13-11-25(12-14-26)21-16-20(22-18(2)23-21)24-9-4-3-5-10-24/h6-8,15-16H,3-5,9-14H2,1-2H3