[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl] ester Formula: C24H22ClNO6S MolecularWeight: 487.95258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C24H22ClNO6S/c1-17-7-10-20(11-8-17)33(29,30)14-13-24(28)31-16-23(27)26-21-15-18(25)9-12-22(21)32-19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,26,27)