N-(1-adamantyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(1-adamantyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide CAS Name: N-(1-adamantyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide Traditional Name: N-(1-adamantyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7S/c26-21(23-22-11-15-7-16(12-22)9-17(8-15)13-22)14-32-20-2-1-18(10-19(20)25(27)28)33(29,30)24-3-5-31-6-4-24/h1-2,10,15-17H,3-9,11-14H2,(H,23,26)