[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-(4-bromo-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-bromo-2-methylanilino)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-bromo-2-methyl-anilino)-4-keto-butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C26H24BrNO7S MolecularWeight: 574.44026

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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=C(C=C(C=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrNO7S/c1-17-3-10-22(11-4-17)36(32,33)35-21-8-5-19(6-9-21)24(29)16-34-26(31)14-13-25(30)28-23-12-7-20(27)15-18(23)2/h3-12,15H,13-14,16H2,1-2H3,(H,28,30)