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

Systemtic Name: 3-[5-(4-methylphenyl)sulfonylpyridin-3-yl]-3,6-diazabicyclo[3.2.1]octane Openeye Name: 3-[5-(p-tolylsulfonyl)-3-pyridyl]-3,6-diazabicyclo[3.2.1]octane CAS Name: 3-[5-(4-methylphenyl)sulfonyl-3-pyridinyl]-3,6-diazabicyclo[3.2.1]octane IUPAC Name: 3-[5-(4-methylphenyl)sulfonylpyridin-3-yl]-3,6-diazabicyclo[3.2.1]octane Traditional Name: 3-(5-tosyl-3-pyridyl)-3,6-diazabicyclo[3.2.1]octane Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=CC(=C2)N3CC4CC(C3)NC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=CC(=C2)N3CC4CC(C3)NC4

InChI

InChI=1S/C18H21N3O2S/c1-13-2-4-17(5-3-13)24(22,23)18-7-16(9-19-10-18)21-11-14-6-15(12-21)20-8-14/h2-5,7,9-10,14-15,20H,6,8,11-12H2,1H3