3-(3-nitrophenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid Openeye Name: 3-(benzylsulfonylamino)-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid IUPAC Name: 3-(benzylsulfonylamino)-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-(benzylsulfonylamino)-3-(3-nitrophenyl)propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c19-16(20)10-15(13-7-4-8-14(9-13)18(21)22)17-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,17H,10-11H2,(H,19,20)