4-(3,3-dimethyl-2-oxidanylidene-butoxy)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,3-dimethyl-2-oxidanylidene-butoxy)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3,3-dimethyl-2-oxo-butoxy)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(3,3-dimethyl-2-oxobutoxy)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,3-dimethyl-2-oxobutoxy)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(2-keto-3,3-dimethyl-butoxy)-3-nitro-benzenesulfonamide Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6S/c1-6-17(7-2)25(22,23)12-8-9-14(13(10-12)18(20)21)24-11-15(19)16(3,4)5/h8-10H,6-7,11H2,1-5H3