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

Systemtic Name: methyl (2S)-2-[[4-(cyclopropylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S2/c1-23-16(20)14(9-10-24-2)17-15(19)11-3-7-13(8-4-11)25(21,22)18-12-5-6-12/h3-4,7-8,12,14,18H,5-6,9-10H2,1-2H3,(H,17,19)/t14-/m0/s1