N1-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfonyl-benzene-1,2-diamine

Systemtic Name: N1-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfonyl-benzene-1,2-diamine Openeye Name: 4-methylsulfonyl-N1-quinuclidin-3-yl-benzene-1,2-diamine CAS Name: N1-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfonylbenzene-1,2-diamine IUPAC Name: 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfonylbenzene-1,2-diamine Traditional Name: (2-amino-4-mesyl-phenyl)-quinuclidin-3-yl-amine Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2CN3CCC2CC3)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2CN3CCC2CC3)N

InChI

InChI=1S/C14H21N3O2S/c1-20(18,19)11-2-3-13(12(15)8-11)16-14-9-17-6-4-10(14)5-7-17/h2-3,8,10,14,16H,4-7,9,15H2,1H3