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

Systemtic Name: methyl 2-[(4-chloranylsulfonyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-chlorosulfonyl-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorosulfonyl-2-phenylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorosulfonyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorosulfonyl-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C19H20ClNO5S2 MolecularWeight: 441.9488

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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)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5S2/c1-26-19(23)17(10-11-27-2)21-18(22)15-9-8-14(28(20,24)25)12-16(15)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,21,22)