[4-(azepan-1-ylsulfonyl)phenyl]-(8-fluoranylquinolin-5-yl)sulfonyl-azanide

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(8-fluoranylquinolin-5-yl)sulfonyl-azanide Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[(8-fluoro-5-quinolyl)sulfonyl]azanide CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[(8-fluoro-5-quinolinyl)sulfonyl]azanide IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(8-fluoroquinolin-5-yl)sulfonylazanide Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[(8-fluoro-5-quinolyl)sulfonyl]azanide Formula: C21H21FN3O4S2- MolecularWeight: 462.537543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N-]S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N-]S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)F

InChI

InChI=1S/C21H21FN3O4S2/c22-19-11-12-20(18-6-5-13-23-21(18)19)30(26,27)24-16-7-9-17(10-8-16)31(28,29)25-14-3-1-2-4-15-25/h5-13H,1-4,14-15H2/q-1