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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C=CC(=C1)F)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)NC1=C(C=CC(=C1)F)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C33H36FN5O6S/c1-38(2)32(41)36-29-14-25(34)7-9-27(29)23-3-5-24(6-4-23)31(40)37-46(44,45)26-8-10-28(30(15-26)39(42)43)35-19-33-16-20-11-21(17-33)13-22(12-20)18-33/h3-10,14-15,20-22,35H,11-13,16-19H2,1-2H3,(H,36,41)(H,37,40)