3-(4-nitrophenyl)-2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-nitrophenyl)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propanoic acid CAS Name: 3-(4-nitrophenyl)-2-[[1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-(4-nitrophenyl)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propionic acid Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O8S/c19-31(29,30)14-7-3-12(4-8-14)17(24)20-10-16(23)21-15(18(25)26)9-11-1-5-13(6-2-11)22(27)28/h1-8,15H,9-10H2,(H,20,24)(H,21,23)(H,25,26)(H2,19,29,30)