3-[5-(4-tert-butylphenyl)sulfonylpyridin-3-yl]-3,6-diazabicyclo[3.2.1]octane

Systemtic Name: 3-[5-(4-tert-butylphenyl)sulfonylpyridin-3-yl]-3,6-diazabicyclo[3.2.1]octane Openeye Name: 3-[5-(4-tert-butylphenyl)sulfonyl-3-pyridyl]-3,6-diazabicyclo[3.2.1]octane CAS Name: 3-[5-(4-tert-butylphenyl)sulfonyl-3-pyridinyl]-3,6-diazabicyclo[3.2.1]octane IUPAC Name: 3-[5-(4-tert-butylphenyl)sulfonylpyridin-3-yl]-3,6-diazabicyclo[3.2.1]octane Traditional Name: 3-[5-(4-tert-butylphenyl)sulfonyl-3-pyridyl]-3,6-diazabicyclo[3.2.1]octane Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=CC(=C2)N3CC4CC(C3)NC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=CC(=C2)N3CC4CC(C3)NC4

InChI

InChI=1S/C21H27N3O2S/c1-21(2,3)16-4-6-19(7-5-16)27(25,26)20-9-18(11-22-12-20)24-13-15-8-17(14-24)23-10-15/h4-7,9,11-12,15,17,23H,8,10,13-14H2,1-3H3