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

Systemtic Name: N-(3-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O3S/c1-2-15-5-3-7-18(13-15)25-20(27)16-9-11-26(12-10-16)30(28,29)19-8-4-6-17(14-19)21(22,23)24/h3-8,13-14,16H,2,9-12H2,1H3,(H,25,27)