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

Systemtic Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-quinolin-8-yl-benzamide Openeye Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(8-quinolyl)benzamide CAS Name: N-[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(8-quinolinyl)benzamide IUPAC Name: N-[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-quinolin-8-ylbenzamide Traditional Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(8-quinolyl)benzamide Formula: C33H32N4O5S MolecularWeight: 596.69598

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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=CC=C7)[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=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C33H32N4O5S/c38-33(24-8-6-22(7-9-24)28-5-1-3-23-4-2-12-34-32(23)28)36-43(41,42)27-10-11-30(31(18-27)37(39)40)35-19-29-25-14-20-13-21(16-25)17-26(29)15-20/h1-12,18,20-21,25-26,29,35H,13-17,19H2,(H,36,38)