N-[(4-acetamidophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamidobenzyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H24F3N3O4S MolecularWeight: 483.50387

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H24F3N3O4S/c1-15(29)27-19-7-5-16(6-8-19)14-26-21(30)17-9-11-28(12-10-17)33(31,32)20-4-2-3-18(13-20)22(23,24)25/h2-8,13,17H,9-12,14H2,1H3,(H,26,30)(H,27,29)