4-(cyclopropylamino)-N-[4-fluoranyl-3-(methylsulfonylamino)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[4-fluoranyl-3-(methylsulfonylamino)phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-nitro-benzamide Formula: C17H17FN4O5S MolecularWeight: 408.404083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])F

InChI

InChI=1S/C17H17FN4O5S/c1-28(26,27)21-15-9-12(5-6-13(15)18)20-17(23)10-2-7-14(19-11-3-4-11)16(8-10)22(24)25/h2,5-9,11,19,21H,3-4H2,1H3,(H,20,23)