1-(4-tert-butylphenyl)sulfonyl-N-(3-chloranyl-2-fluoranyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-N-(3-chloranyl-2-fluoranyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-N-(3-chloro-2-fluoro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-tert-butylphenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-N-(3-chloro-2-fluoro-phenyl)isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

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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=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C22H26ClFN2O3S/c1-22(2,3)16-7-9-17(10-8-16)30(28,29)26-13-11-15(12-14-26)21(27)25-19-6-4-5-18(23)20(19)24/h4-10,15H,11-14H2,1-3H3,(H,25,27)