2-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)amino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)amino]propanoic acid Openeye Name: 2-[4-nitro-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 2-(N-(4-methylphenyl)sulfonyl-4-nitroanilino)propanoic acid IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-4-nitroanilino)propanoic acid Traditional Name: 2-(4-nitro-N-tosyl-anilino)propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(C)C(=O)O

InChI

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