N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluoranyl-2-nitro-phenyl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluoranyl-2-nitro-phenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluoro-2-nitro-phenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-fluoro-2-nitrophenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-fluoro-2-nitrophenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluoro-2-nitro-phenyl)benzamide Formula: C30H29FN4O7S MolecularWeight: 608.637263

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

InChI

InChI=1S/C30H29FN4O7S/c31-23-5-7-25(27(12-23)34(37)38)21-1-3-22(4-2-21)29(36)33-43(41,42)24-6-8-26(28(13-24)35(39)40)32-17-30-14-18-9-19(15-30)11-20(10-18)16-30/h1-8,12-13,18-20,32H,9-11,14-17H2,(H,33,36)