4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H27N3O6S MolecularWeight: 413.48848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-3-20(4-2)28(25,26)15-9-10-17(16(13-15)21(23)24)27-14-18(22)19-11-7-5-6-8-12-19/h9-10,13H,3-8,11-12,14H2,1-2H3