8-[4-[[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid

Systemtic Name: 8-[4-[[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid Openeye Name: 8-[4-[[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid CAS Name: 8-[4-[[[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonylamino]-oxomethyl]phenyl]-2-quinolinecarboxylic acid IUPAC Name: 8-[4-[[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid Traditional Name: 8-[4-[[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]quinaldic acid Formula: C34H32N4O7S MolecularWeight: 640.70548

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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=CC=CC7=C6N=C(C=C7)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=CC=CC7=C6N=C(C=C7)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C34H32N4O7S/c39-33(23-6-4-21(5-7-23)27-3-1-2-22-8-10-30(34(40)41)36-32(22)27)37-46(44,45)26-9-11-29(31(17-26)38(42)43)35-18-28-24-13-19-12-20(15-24)16-25(28)14-19/h1-11,17,19-20,24-25,28,35H,12-16,18H2,(H,37,39)(H,40,41)