[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(3-ethanoylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(3-ethanoylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-(3-acetylanilino)-5-oxo-pentanoate CAS Name: 5-(3-acetylanilino)-5-oxopentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(3-acetylanilino)-5-oxopentanoate Traditional Name: 5-(3-acetylanilino)-5-keto-valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C28H27NO8S MolecularWeight: 537.58088

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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)CCCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO8S/c1-19-9-15-25(16-10-19)38(34,35)37-24-13-11-21(12-14-24)26(31)18-36-28(33)8-4-7-27(32)29-23-6-3-5-22(17-23)20(2)30/h3,5-6,9-17H,4,7-8,18H2,1-2H3,(H,29,32)