[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-(4-bromo-3-chloro-anilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-(4-bromo-3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-chloroanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-(4-bromo-3-chloro-anilino)-2-keto-ethyl] ester Formula: C19H19BrClNO5S MolecularWeight: 488.77986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Br)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Br)Cl)C

InChI

InChI=1S/C19H19BrClNO5S/c1-12-3-5-15(9-13(12)2)28(25,26)8-7-19(24)27-11-18(23)22-14-4-6-16(20)17(21)10-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)