2-(azepan-1-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: 2-(azepan-1-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 2-(azepan-1-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide CAS Name: 2-(1-azepanyl)-N,N-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: 2-(azepan-1-yl)-N,N-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 2-(azepan-1-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide Formula: C14H21N3O4S MolecularWeight: 327.39924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H21N3O4S/c1-15(2)22(20,21)14-11-12(17(18)19)7-8-13(14)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3