N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-quinuclidin-3-yl-benzenesulfonamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-quinuclidin-3-yl-benzenesulfonamide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CN3CCC2CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CN3CCC2CC3

InChI

InChI=1S/C14H19N3O4S/c1-10-2-3-12(17(18)19)8-14(10)22(20,21)15-13-9-16-6-4-11(13)5-7-16/h2-3,8,11,13,15H,4-7,9H2,1H3