N-(4-fluoranyl-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H26FN3O5S/c1-13-11-14(2)16(4)21(15(13)3)32(30,31)25-9-7-17(8-10-25)22(27)24-18-5-6-19(23)20(12-18)26(28)29/h5-6,11-12,17H,7-10H2,1-4H3,(H,24,27)