1-[4-[2-(4-tert-butylphenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-yl]ethanol

Systemtic Name: 1-[4-[2-(4-tert-butylphenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-yl]ethanol Openeye Name: 1-[4-[2-(4-tert-butylphenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-yl]ethanol CAS Name: 1-[4-[2-(4-tert-butylphenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]-2-pyrimidinyl]ethanol IUPAC Name: 1-[4-[2-(4-tert-butylphenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-yl]ethanol Traditional Name: 1-[4-[2-(4-tert-butylphenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyrimidin-2-yl]ethanol Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CC3CC2CN3S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)O

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CC3CC2CN3S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)O

InChI

InChI=1S/C21H28N4O3S/c1-14(26)20-22-10-9-19(23-20)24-12-17-11-16(24)13-25(17)29(27,28)18-7-5-15(6-8-18)21(2,3)4/h5-10,14,16-17,26H,11-13H2,1-4H3