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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: 4-oxo-4-(4-phenoxyanilino)butanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: 4-keto-4-(4-phenoxyanilino)butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C31H27NO8S MolecularWeight: 573.61298

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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=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C31H27NO8S/c1-22-7-17-28(18-8-22)41(36,37)40-27-13-9-23(10-14-27)29(33)21-38-31(35)20-19-30(34)32-24-11-15-26(16-12-24)39-25-5-3-2-4-6-25/h2-18H,19-21H2,1H3,(H,32,34)