4-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoic acid CAS Name: 4-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(2-fluorobenzyl)-nosyl-amino]butyric acid Formula: C17H17FN2O6S MolecularWeight: 396.390083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O6S/c18-16-5-2-1-4-13(16)12-19(11-3-6-17(21)22)27(25,26)15-9-7-14(8-10-15)20(23)24/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,22)