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

Systemtic Name: 4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(m-tolylsulfonyl)piperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(m-tolylsulfonyl)piperazino]-6-piperidino-pyrimidine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-17-6-5-7-18(14-17)28(26,27)25-12-10-24(11-13-25)20-15-19(21-16-22-20)23-8-3-2-4-9-23/h5-7,14-16H,2-4,8-13H2,1H3