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

Systemtic Name: 4-[2-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[2-(m-tolylsulfonyl)-1-(4-piperidyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-(3-methylphenyl)sulfonyl-1-(4-piperidinyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-[2-(3-methylphenyl)sulfonyl-1-piperidin-4-ylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[2-(m-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=C1)S(=O)(=O)C2C(CCN2C3CCNCC3)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2C(CCN2C3CCNCC3)C4=NC(=NC=C4)N

InChI

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