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

Systemtic Name: 4-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(azocan-1-yl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1-azocanyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(azocan-1-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(azocan-1-yl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H29N3O6S/c1-3-21(4-2)29(26,27)16-10-11-18(17(14-16)22(24)25)28-15-19(23)20-12-8-6-5-7-9-13-20/h10-11,14H,3-9,12-13,15H2,1-2H3