4-[2-(2-methylphenyl)sulfonyl-1-piperidin-4-yl-pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-[2-(2-methylphenyl)sulfonyl-1-piperidin-4-yl-pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[2-(o-tolylsulfonyl)-1-(4-piperidyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-(2-methylphenyl)sulfonyl-1-(4-piperidinyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-[2-(2-methylphenyl)sulfonyl-1-piperidin-4-ylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[2-(o-tolylsulfonyl)-1-(4-piperidyl)pyrrolidin-3-yl]pyrimidin-2-yl]amine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C2C(CCN2C3CCNCC3)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C2C(CCN2C3CCNCC3)C4=NC(=NC=C4)N

InChI

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