[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C19H21BrN2O5S2 MolecularWeight: 501.41444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H21BrN2O5S2/c1-11-9-17(12(2)8-16(11)20)28-10-18(23)27-13(3)19(24)22-14-4-6-15(7-5-14)29(21,25)26/h4-9,13H,10H2,1-3H3,(H,22,24)(H2,21,25,26)