4-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]oxy-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]oxy-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(4-bromophenyl)-1-methyl-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[1-(4-bromophenyl)-1-oxopropan-2-yl]oxy-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(4-bromophenyl)-1-oxopropan-2-yl]oxy-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-bromophenyl)-2-keto-1-methyl-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O6S/c1-4-21(5-2)29(26,27)16-10-11-18(17(12-16)22(24)25)28-13(3)19(23)14-6-8-15(20)9-7-14/h6-13H,4-5H2,1-3H3