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

Systemtic Name: 4-[2-(3-methylphenyl)sulfonyl-1-piperidin-3-yl-pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[2-(m-tolylsulfonyl)-1-(3-piperidyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-(3-methylphenyl)sulfonyl-1-(3-piperidinyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-[2-(3-methylphenyl)sulfonyl-1-piperidin-3-ylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[2-(m-tolylsulfonyl)-1-(3-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(CCN2C3CCCNC3)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

InChI

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