methyl (2R)-2-[[4-[6-(4-methylphenyl)sulfonyloxyhex-1-ynyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[4-[6-(4-methylphenyl)sulfonyloxyhex-1-ynyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-4-methylsulfanyl-2-[[4-[6-(p-tolylsulfonyloxy)hex-1-ynyl]phenyl]sulfonylamino]butanoate CAS Name: (2R)-2-[[4-[6-(4-methylphenyl)sulfonyloxyhex-1-ynyl]phenyl]sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-[6-(4-methylphenyl)sulfonyloxyhex-1-ynyl]phenyl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[[4-(6-tosyloxyhex-1-ynyl)phenyl]sulfonylamino]butyric acid methyl ester Formula: C25H31NO7S3 MolecularWeight: 553.71114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC2=CC=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC2=CC=C(C=C2)S(=O)(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C25H31NO7S3/c1-20-9-13-23(14-10-20)36(30,31)33-18-7-5-4-6-8-21-11-15-22(16-12-21)35(28,29)26-24(17-19-34-3)25(27)32-2/h9-16,24,26H,4-5,7,17-19H2,1-3H3/t24-/m1/s1