[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-benzamido-4-(methylthio)butyric acid [2-keto-2-(3-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(=CC=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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