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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-(2-ethylanilino)-4-oxo-butanoate CAS Name: 4-(2-ethylanilino)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate Traditional Name: 4-(2-ethylanilino)-4-keto-butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H27NO7S/c1-3-20-6-4-5-7-24(20)28-26(30)16-17-27(31)34-18-25(29)21-10-12-22(13-11-21)35-36(32,33)23-14-8-19(2)9-15-23/h4-15H,3,16-18H2,1-2H3,(H,28,30)