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

Systemtic Name: ethyl 3-[2-[(4-bromanyl-3-methyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-[(4-bromo-3-methyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxo-propanoate CAS Name: 3-[2-[(4-bromo-3-methylphenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(4-bromo-3-methylphenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxopropanoate Traditional Name: 3-[2-[(4-bromo-3-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=CC(=C(C=C2)Br)C

Isomeric SMILES

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

InChI

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