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

Systemtic Name: 2-(azepan-1-yl)-N,N-bis(2-methylpropyl)-5-nitro-benzenesulfonamide Openeye Name: 2-(azepan-1-yl)-N,N-diisobutyl-5-nitro-benzenesulfonamide CAS Name: 2-(1-azepanyl)-N,N-bis(2-methylpropyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-(azepan-1-yl)-N,N-bis(2-methylpropyl)-5-nitrobenzenesulfonamide Traditional Name: 2-(azepan-1-yl)-N,N-diisobutyl-5-nitro-benzenesulfonamide Formula: C20H33N3O4S MolecularWeight: 411.55872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4S/c1-16(2)14-22(15-17(3)4)28(26,27)20-13-18(23(24)25)9-10-19(20)21-11-7-5-6-8-12-21/h9-10,13,16-17H,5-8,11-12,14-15H2,1-4H3