1-(4-tert-butylphenyl)sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-N-(4-fluoro-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-tert-butylphenyl)sulfonyl-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-N-(4-fluoro-3-nitro-phenyl)isonipecotamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H26FN3O5S/c1-22(2,3)16-4-7-18(8-5-16)32(30,31)25-12-10-15(11-13-25)21(27)24-17-6-9-19(23)20(14-17)26(28)29/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)