N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-iodanyl-benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-iodanyl-benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-iodo-benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-iodobenzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-iodobenzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-iodo-benzamide Formula: C24H26IN3O5S MolecularWeight: 595.44981

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)I)[N+](=O)[O-]

InChI

InChI=1S/C24H26IN3O5S/c25-19-3-1-18(2-4-19)23(29)27-34(32,33)20-5-6-21(22(10-20)28(30)31)26-14-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,26H,7-9,11-14H2,(H,27,29)