N-[3,4-bis(fluoranyl)phenyl]-2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)acetamide CAS Name: N-(3,4-difluorophenyl)-2-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)acetamide Traditional Name: N-(3,4-difluorophenyl)-2-(4-nitro-2-pyrrolidinosulfonyl-anilino)acetamide Formula: C18H18F2N4O5S MolecularWeight: 440.421126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H18F2N4O5S/c19-14-5-3-12(9-15(14)20)22-18(25)11-21-16-6-4-13(24(26)27)10-17(16)30(28,29)23-7-1-2-8-23/h3-6,9-10,21H,1-2,7-8,11H2,(H,22,25)