N-(1-adamantyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C26H36N4O6S MolecularWeight: 532.65224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)S(=O)(=O)N6CCOCC6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)S(=O)(=O)N6CCOCC6)[N+](=O)[O-]

InChI

InChI=1S/C26H36N4O6S/c31-25(27-26-15-18-11-19(16-26)13-20(12-18)17-26)21-3-5-28(6-4-21)23-2-1-22(14-24(23)30(32)33)37(34,35)29-7-9-36-10-8-29/h1-2,14,18-21H,3-13,15-17H2,(H,27,31)