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

Systemtic Name: 4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(5-bromo-2-thienyl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(5-bromo-2-thiophenyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(5-bromo-2-thienyl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H17BrN2O6S2 MolecularWeight: 477.34998

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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(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O6S2/c1-3-18(4-2)27(23,24)11-5-6-14(12(9-11)19(21)22)25-10-13(20)15-7-8-16(17)26-15/h5-9H,3-4,10H2,1-2H3