1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[4-(2-cyanopropan-2-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[4-(2-cyanopropan-2-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[4-(1-cyano-1-methyl-ethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(2-cyanopropan-2-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(2-cyanopropan-2-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[4-(1-cyano-1-methyl-ethyl)phenyl]isonipecotamide Formula: C22H23ClFN3O3S MolecularWeight: 463.952723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H23ClFN3O3S/c1-22(2,14-25)16-3-5-17(6-4-16)26-21(28)15-9-11-27(12-10-15)31(29,30)18-7-8-20(24)19(23)13-18/h3-8,13,15H,9-12H2,1-2H3,(H,26,28)