N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4-dimethyl-5-nitro-benzenesulfonamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC2C3C2CNC3

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC2C3C2CNC3

InChI

InChI=1S/C13H17N3O4S/c1-7-3-9(4-12(8(7)2)16(17)18)21(19,20)15-13-10-5-14-6-11(10)13/h3-4,10-11,13-15H,5-6H2,1-2H3