3-[[3,4-bis(fluoranyl)phenyl]-methylsulfonyl-amino]propanoate

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-methylsulfonyl-amino]propanoate Openeye Name: 3-(3,4-difluoro-N-methylsulfonyl-anilino)propanoate CAS Name: 3-(3,4-difluoro-N-methylsulfonylanilino)propanoate IUPAC Name: 3-(3,4-difluoro-N-methylsulfonylanilino)propanoate Traditional Name: 3-(3,4-difluoro-N-mesyl-anilino)propionate Formula: C10H10F2NO4S- MolecularWeight: 278.252506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)F

Isomeric SMILES

CS(=O)(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C10H11F2NO4S/c1-18(16,17)13(5-4-10(14)15)7-2-3-8(11)9(12)6-7/h2-3,6H,4-5H2,1H3,(H,14,15)/p-1