[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-anilino-4-oxo-butanoate CAS Name: 4-anilino-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-anilino-4-oxobutanoate Traditional Name: 4-anilino-4-keto-butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C25H23NO7S MolecularWeight: 481.51762

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO7S/c1-18-7-13-22(14-8-18)34(30,31)33-21-11-9-19(10-12-21)23(27)17-32-25(29)16-15-24(28)26-20-5-3-2-4-6-20/h2-14H,15-17H2,1H3,(H,26,28)