[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-[(4-sulfamoylphenyl)carbamoyl]propyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-oxo-1-(4-sulfamoylanilino)butan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-sulfamoylanilino)butan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-1-[(4-sulfamoylphenyl)carbamoyl]propyl] ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6S2/c1-3-19(21(27)24-16-9-11-17(12-10-16)33(23,29)30)31-22(28)18(13-14-32-2)25-20(26)15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3,(H,24,27)(H,25,26)(H2,23,29,30)/t18-,19+/m0/s1