2,5-bis(azanyl)-2-(fluoranylmethyl)-3-(4-nitrophenyl)sulfinyl-pentanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-(fluoranylmethyl)-3-(4-nitrophenyl)sulfinyl-pentanoic acid Openeye Name: 2,5-diamino-2-(fluoromethyl)-3-(4-nitrophenyl)sulfinyl-pentanoic acid CAS Name: 2,5-diamino-2-(fluoromethyl)-3-(4-nitrophenyl)sulfinylpentanoic acid IUPAC Name: 2,5-diamino-2-(fluoromethyl)-3-(4-nitrophenyl)sulfinylpentanoic acid Traditional Name: 2,5-diamino-2-(fluoromethyl)-3-(4-nitrophenyl)sulfinyl-valeric acid Formula: C12H16FN3O5S MolecularWeight: 333.335943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)C(CCN)C(CF)(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)C(CCN)C(CF)(C(=O)O)N

InChI

InChI=1S/C12H16FN3O5S/c13-7-12(15,11(17)18)10(5-6-14)22(21)9-3-1-8(2-4-9)16(19)20/h1-4,10H,5-7,14-15H2,(H,17,18)