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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-phenyl-benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-phenyl-benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-phenylbenzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-phenylbenzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-phenyl-benzamide Formula: C30H31N3O5S MolecularWeight: 545.64924

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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=CC=CC=C6)[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=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H31N3O5S/c34-29(25-8-6-24(7-9-25)23-4-2-1-3-5-23)32-39(37,38)26-10-11-27(28(15-26)33(35)36)31-19-30-16-20-12-21(17-30)14-22(13-20)18-30/h1-11,15,20-22,31H,12-14,16-19H2,(H,32,34)