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

Systemtic Name: methyl (2S)-2-[[4-chloranyl-3-(prop-2-enylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-(allylsulfamoyl)-4-chloro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-chloro-3-(prop-2-enylsulfamoyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-chloro-3-(prop-2-enylsulfamoyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(allylsulfamoyl)-4-chloro-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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S2/c1-4-8-18-26(22,23)14-10-11(5-6-12(14)17)15(20)19-13(7-9-25-3)16(21)24-2/h4-6,10,13,18H,1,7-9H2,2-3H3,(H,19,20)/t13-/m0/s1