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

Systemtic Name: 4-[2-(4-tert-butylphenyl)sulfonyl-1-piperidin-3-yl-pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[2-(4-tert-butylphenyl)sulfonyl-1-(3-piperidyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-(4-tert-butylphenyl)sulfonyl-1-(3-piperidinyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-[2-(4-tert-butylphenyl)sulfonyl-1-piperidin-3-ylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[2-(4-tert-butylphenyl)sulfonyl-1-(3-piperidyl)pyrrolidin-3-yl]pyrimidin-2-yl]amine Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O2S/c1-23(2,3)16-6-8-18(9-7-16)31(29,30)21-19(20-10-13-26-22(24)27-20)11-14-28(21)17-5-4-12-25-15-17/h6-10,13,17,19,21,25H,4-5,11-12,14-15H2,1-3H3,(H2,24,26,27)