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

Systemtic Name: N-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O5S/c1-15-2-3-20(26(28)29)11-21(15)32(30,31)25-6-4-19(5-7-25)22(27)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-19H,4-10,12-14H2,1H3,(H,24,27)