methyl (2S)-2-[[4-chloranyl-3-(cyclopropylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-chloranyl-3-(cyclopropylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-chloro-3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-chloro-3-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-chloro-3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-chloro-3-(cyclopropylsulfamoyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H21ClN2O5S2 MolecularWeight: 420.93134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2CC2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2CC2

InChI

InChI=1S/C16H21ClN2O5S2/c1-24-16(21)13(7-8-25-2)18-15(20)10-3-6-12(17)14(9-10)26(22,23)19-11-4-5-11/h3,6,9,11,13,19H,4-5,7-8H2,1-2H3,(H,18,20)/t13-/m0/s1