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

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-N-(2-chloranyl-4-fluoranyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-N-(2-chloro-4-fluoro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-tert-butylphenyl)sulfonyl-N-(2-chloro-4-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-N-(2-chloro-4-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-N-(2-chloro-4-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=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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