[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-benzamido-4-(methylthio)butyric acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S2/c1-30-12-11-17(23-19(25)14-5-3-2-4-6-14)20(26)29-13-18(24)22-15-7-9-16(10-8-15)31(21,27)28/h2-10,17H,11-13H2,1H3,(H,22,24)(H,23,25)(H2,21,27,28)/t17-/m1/s1