[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C26H25NO7S MolecularWeight: 495.5442

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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

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

InChI

InChI=1S/C26H25NO7S/c1-19-10-16-23(17-11-19)35(31,32)34-22-14-12-20(13-15-22)24(28)18-33-26(30)9-5-8-25(29)27-21-6-3-2-4-7-21/h2-4,6-7,10-17H,5,8-9,18H2,1H3,(H,27,29)