[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(4-bromanyl-3-methyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(4-bromanyl-3-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-(4-bromo-3-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(4-bromo-3-methylanilino)-5-oxopentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(4-bromo-3-methylanilino)-5-oxopentanoate Traditional Name: 5-(4-bromo-3-methyl-anilino)-5-keto-valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C27H26BrNO7S MolecularWeight: 588.46684

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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(=C(C=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrNO7S/c1-18-6-13-23(14-7-18)37(33,34)36-22-11-8-20(9-12-22)25(30)17-35-27(32)5-3-4-26(31)29-21-10-15-24(28)19(2)16-21/h6-16H,3-5,17H2,1-2H3,(H,29,31)