3-(4-fluorophenyl)-3-[(2-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[(2-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[(2-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[(2-methyl-5-nitro-phenyl)sulfonylamino]propionic acid Formula: C16H15FN2O6S MolecularWeight: 382.363503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O6S/c1-10-2-7-13(19(22)23)8-15(10)26(24,25)18-14(9-16(20)21)11-3-5-12(17)6-4-11/h2-8,14,18H,9H2,1H3,(H,20,21)