3-[[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-(4-nitrophenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-(4-nitrophenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[[2-(4-chlorophenyl)-2-oxo-ethyl]-(4-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]-nosyl-amino]propionic acid Formula: C17H15ClN2O7S MolecularWeight: 426.8282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O7S/c18-13-3-1-12(2-4-13)16(21)11-19(10-9-17(22)23)28(26,27)15-7-5-14(6-8-15)20(24)25/h1-8H,9-11H2,(H,22,23)