N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-nitropyridin-2-yl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-nitropyridin-2-yl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-nitro-2-pyridyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(5-nitro-2-pyridinyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(5-nitropyridin-2-yl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(5-nitro-2-pyridyl)benzamide Formula: C29H29N5O7S MolecularWeight: 591.63486

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=NC=C(C=C6)[N+](=O)[O-])[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=NC=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O7S/c35-28(22-3-1-21(2-4-22)25-7-5-23(16-30-25)33(36)37)32-42(40,41)24-6-8-26(27(12-24)34(38)39)31-17-29-13-18-9-19(14-29)11-20(10-18)15-29/h1-8,12,16,18-20,31H,9-11,13-15,17H2,(H,32,35)