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

Systemtic Name: methyl 2-[(4-isocyanatosulfonyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-isocyanatosulfonyl-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-isocyanatosulfonyl-2-phenylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-isocyanatosulfonyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-isocyanatosulfonyl-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)N=C=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)N=C=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O6S2/c1-28-20(25)18(10-11-29-2)22-19(24)16-9-8-15(30(26,27)21-13-23)12-17(16)14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3,(H,22,24)