ethyl 3-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate Openeye Name: ethyl 3-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate CAS Name: 3-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(2-fluorobenzyl)-nosyl-amino]propionic acid ethyl ester Formula: C18H19FN2O6S MolecularWeight: 410.416663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O6S/c1-2-27-18(22)11-12-20(13-14-5-3-4-6-17(14)19)28(25,26)16-9-7-15(8-10-16)21(23)24/h3-10H,2,11-13H2,1H3