[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-(3-methylanilino)-4-oxo-butanoate CAS Name: 4-(3-methylanilino)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(m-toluidino)butyric 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)CCC(=O)NC3=CC=CC(=C3)C

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)C

InChI

InChI=1S/C26H25NO7S/c1-18-6-12-23(13-7-18)35(31,32)34-22-10-8-20(9-11-22)24(28)17-33-26(30)15-14-25(29)27-21-5-3-4-19(2)16-21/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)