2-[methyl-[4-(4-nitrophenyl)sulfonylphenyl]amino]propanoic acid

Systemtic Name: 2-[methyl-[4-(4-nitrophenyl)sulfonylphenyl]amino]propanoic acid Openeye Name: 2-[N-methyl-4-(4-nitrophenyl)sulfonyl-anilino]propanoic acid CAS Name: 2-[N-methyl-4-(4-nitrophenyl)sulfonylanilino]propanoic acid IUPAC Name: 2-[N-methyl-4-(4-nitrophenyl)sulfonylanilino]propanoic acid Traditional Name: 2-(N-methyl-4-nosyl-anilino)propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-11(16(19)20)17(2)12-3-7-14(8-4-12)25(23,24)15-9-5-13(6-10-15)18(21)22/h3-11H,1-2H3,(H,19,20)