N-(3-acetamido-4-fluoranyl-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-acetamido-4-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H21F4N3O4S MolecularWeight: 487.467753

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)F

InChI

InChI=1S/C21H21F4N3O4S/c1-13(29)26-18-12-15(6-7-17(18)22)27-20(30)14-8-10-28(11-9-14)33(31,32)19-5-3-2-4-16(19)21(23,24)25/h2-7,12,14H,8-11H2,1H3,(H,26,29)(H,27,30)