methyl 2-[[4-(4-methylphenyl)sulfonyloxy-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(4-methylphenyl)sulfonyloxy-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(p-tolylsulfonyloxy)benzoyl]amino]butanoate CAS Name: 2-[[[4-(4-methylphenyl)sulfonyloxy-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)sulfonyloxy-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[(2-phenyl-4-tosyloxy-benzoyl)amino]butyric acid methyl ester Formula: C26H27NO6S2 MolecularWeight: 513.62568

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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)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO6S2/c1-18-9-12-21(13-10-18)35(30,31)33-20-11-14-22(23(17-20)19-7-5-4-6-8-19)25(28)27-24(15-16-34-3)26(29)32-2/h4-14,17,24H,15-16H2,1-3H3,(H,27,28)