N-(2-adamantyl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-adamantyl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-adamantyl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-adamantyl)-N-ethyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-adamantyl)-N-ethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-adamantyl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1C2CC3CC(C2)CC1C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

Isomeric SMILES

CCN(C1C2CC3CC(C2)CC1C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H35N3O5S/c1-3-27(24-20-11-17-10-18(13-20)14-21(24)12-17)25(29)19-6-8-26(9-7-19)34(32,33)23-15-22(28(30)31)5-4-16(23)2/h4-5,15,17-21,24H,3,6-14H2,1-2H3