4-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(4-tert-butylphenyl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(4-tert-butylphenyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(4-tert-butylphenyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-tert-butylphenyl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-6-23(7-2)31(28,29)18-12-13-21(19(14-18)24(26)27)30-15-20(25)16-8-10-17(11-9-16)22(3,4)5/h8-14H,6-7,15H2,1-5H3