N-[2-chloranyl-4-(trifluoromethyl)phenyl]-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-chloranyl-4-(trifluoromethyl)phenyl]-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-1-(8-quinolylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-1-(8-quinolylsulfonyl)nipecotamide Formula: C22H19ClF3N3O3S MolecularWeight: 497.91777

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H19ClF3N3O3S/c23-17-12-16(22(24,25)26)8-9-18(17)28-21(30)15-6-3-11-29(13-15)33(31,32)19-7-1-4-14-5-2-10-27-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,28,30)