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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-(4-bromoanilino)-4-oxo-butanoate CAS Name: 4-(4-bromoanilino)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-(4-bromoanilino)-4-oxobutanoate Traditional Name: 4-(4-bromoanilino)-4-keto-butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C25H22BrNO7S MolecularWeight: 560.41368

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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)Br

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)Br

InChI

InChI=1S/C25H22BrNO7S/c1-17-2-12-22(13-3-17)35(31,32)34-21-10-4-18(5-11-21)23(28)16-33-25(30)15-14-24(29)27-20-8-6-19(26)7-9-20/h2-13H,14-16H2,1H3,(H,27,29)