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

Systemtic Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-azanylquinolin-8-yl)benzamide Openeye Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-amino-8-quinolyl)benzamide CAS Name: N-[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-amino-8-quinolinyl)benzamide IUPAC Name: N-[4-(2-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-aminoquinolin-8-yl)benzamide Traditional Name: N-[4-(2-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-amino-8-quinolyl)benzamide Formula: C33H33N5O5S MolecularWeight: 611.71062

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

InChI

InChI=1S/C33H33N5O5S/c34-31-11-8-22-2-1-3-27(32(22)36-31)21-4-6-23(7-5-21)33(39)37-44(42,43)26-9-10-29(30(17-26)38(40)41)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,(H2,34,36)(H,37,39)