4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O8S/c1-3-20(4-2)30(25,26)14-6-8-17(15(10-14)21(23)24)27-11-16(22)13-5-7-18-19(9-13)29-12-28-18/h5-10H,3-4,11-12H2,1-2H3