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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(4-bromanyl-2-ethyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-(4-bromo-2-ethyl-anilino)-5-oxo-pentanoate CAS Name: 5-(4-bromo-2-ethylanilino)-5-oxopentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(4-bromo-2-ethylanilino)-5-oxopentanoate Traditional Name: 5-(4-bromo-2-ethyl-anilino)-5-keto-valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C28H28BrNO7S MolecularWeight: 602.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H28BrNO7S/c1-3-20-17-22(29)11-16-25(20)30-27(32)5-4-6-28(33)36-18-26(31)21-9-12-23(13-10-21)37-38(34,35)24-14-7-19(2)8-15-24/h7-17H,3-6,18H2,1-2H3,(H,30,32)