3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(mesitylsulfonylamino)-3-(3-nitrophenyl)propionic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-11-7-12(2)18(13(3)8-11)27(25,26)19-16(10-17(21)22)14-5-4-6-15(9-14)20(23)24/h4-9,16,19H,10H2,1-3H3,(H,21,22)