4-[(4-fluoranyl-2-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(4-fluoranyl-2-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(4-fluoro-2-nitro-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(4-fluoro-2-nitrophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(4-fluoro-2-nitrophenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(4-fluoro-2-nitro-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C11H13FN2O6S MolecularWeight: 320.294123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C11H13FN2O6S/c1-13(6-2-3-11(15)16)21(19,20)10-5-4-8(12)7-9(10)14(17)18/h4-5,7H,2-3,6H2,1H3,(H,15,16)