N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-fluoranylquinolin-8-yl)benzamide

Systemtic Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-fluoranylquinolin-8-yl)benzamide Openeye Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-fluoro-8-quinolyl)benzamide CAS Name: N-[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(5-fluoro-8-quinolinyl)benzamide IUPAC Name: N-[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(5-fluoroquinolin-8-yl)benzamide Traditional Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-fluoro-8-quinolyl)benzamide Formula: C33H31FN4O5S MolecularWeight: 614.686443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=C7C(=C(C=C6)F)C=CC=N7)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=C7C(=C(C=C6)F)C=CC=N7)[N+](=O)[O-]

InChI

InChI=1S/C33H31FN4O5S/c34-29-9-8-26(32-27(29)2-1-11-35-32)21-3-5-22(6-4-21)33(39)37-44(42,43)25-7-10-30(31(17-25)38(40)41)36-18-28-23-13-19-12-20(15-23)16-24(28)14-19/h1-11,17,19-20,23-24,28,36H,12-16,18H2,(H,37,39)