[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O6S2/c26-36(32,33)21-13-11-20(12-14-21)27-23(29)15-34-25(31)22(17-35-16-18-7-3-1-4-8-18)28-24(30)19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,27,29)(H,28,30)(H2,26,32,33)