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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-(benzylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-[(phenylmethyl)amino]pentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(benzylamino)-5-oxopentanoate Traditional Name: 5-(benzylamino)-5-keto-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)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO7S/c1-20-10-16-24(17-11-20)36(32,33)35-23-14-12-22(13-15-23)25(29)19-34-27(31)9-5-8-26(30)28-18-21-6-3-2-4-7-21/h2-4,6-7,10-17H,5,8-9,18-19H2,1H3,(H,28,30)