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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-(2-methylanilino)-5-oxo-pentanoate CAS Name: 5-(2-methylanilino)-5-oxopentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(2-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(o-toluidino)valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C27H27NO7S MolecularWeight: 509.57078

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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=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C27H27NO7S/c1-19-10-16-23(17-11-19)36(32,33)35-22-14-12-21(13-15-22)25(29)18-34-27(31)9-5-8-26(30)28-24-7-4-3-6-20(24)2/h3-4,6-7,10-17H,5,8-9,18H2,1-2H3,(H,28,30)