[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylanilino)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylanilino)-4-keto-butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C27H27NO7S/c1-18-5-12-23(13-6-18)36(32,33)35-22-10-8-21(9-11-22)25(29)17-34-27(31)15-14-26(30)28-24-16-19(2)4-7-20(24)3/h4-13,16H,14-15,17H2,1-3H3,(H,28,30)