N,N-diethyl-3-nitro-4-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethoxy]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethoxy]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-isopropylphenyl)-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzenesulfonamide Traditional Name: N,N-diethyl-4-(2-keto-2-p-cumenyl-ethoxy)-3-nitro-benzenesulfonamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O6S/c1-5-22(6-2)30(27,28)18-11-12-21(19(13-18)23(25)26)29-14-20(24)17-9-7-16(8-10-17)15(3)4/h7-13,15H,5-6,14H2,1-4H3