N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[2-(3-azanylpropanoylamino)-4-fluoranyl-phenyl]benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[2-(3-azanylpropanoylamino)-4-fluoranyl-phenyl]benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[2-(3-aminopropanoylamino)-4-fluoro-phenyl]benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-[2-[(3-amino-1-oxopropyl)amino]-4-fluorophenyl]benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-[2-(3-aminopropanoylamino)-4-fluorophenyl]benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[2-(3-aminopropanoylamino)-4-fluoro-phenyl]benzamide Formula: C33H36FN5O6S MolecularWeight: 649.732243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=C(C=C(C=C6)F)NC(=O)CCN)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=C(C=C(C=C6)F)NC(=O)CCN)[N+](=O)[O-]

InChI

InChI=1S/C33H36FN5O6S/c34-25-5-7-27(29(14-25)37-31(40)9-10-35)23-1-3-24(4-2-23)32(41)38-46(44,45)26-6-8-28(30(15-26)39(42)43)36-19-33-16-20-11-21(17-33)13-22(12-20)18-33/h1-8,14-15,20-22,36H,9-13,16-19,35H2,(H,37,40)(H,38,41)