ethyl 3-[2-[(4-bromanyl-2-methyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-[(4-bromanyl-2-methyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-[(4-bromo-2-methyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxo-propanoate CAS Name: 3-[2-[(4-bromo-2-methylphenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(4-bromo-2-methylphenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxopropanoate Traditional Name: 3-[2-[(4-bromo-2-methyl-benzyl)sulfamoyl]phenyl]-2-cyano-3-keto-propionic acid ethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C20H19BrN2O5S/c1-3-28-20(25)17(11-22)19(24)16-6-4-5-7-18(16)29(26,27)23-12-14-8-9-15(21)10-13(14)2/h4-10,17,23H,3,12H2,1-2H3