1-[(3-bromophenyl)methylsulfonyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H19BrClF3N2O3S MolecularWeight: 539.79367

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrClF3N2O3S/c21-16-3-1-2-13(10-16)12-31(29,30)27-8-6-14(7-9-27)19(28)26-18-11-15(20(23,24)25)4-5-17(18)22/h1-5,10-11,14H,6-9,12H2,(H,26,28)