N,N-diethyl-3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[2-oxo-2-(1-piperidyl)ethoxy]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonamide Traditional Name: N,N-diethyl-4-(2-keto-2-piperidino-ethoxy)-3-nitro-benzenesulfonamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-3-19(4-2)27(24,25)14-8-9-16(15(12-14)20(22)23)26-13-17(21)18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3