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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O4S/c22-21(23,24)17-2-1-3-18(12-17)32(30,31)27-10-8-16(9-11-27)20(29)26-13-14-4-6-15(7-5-14)19(25)28/h1-7,12,16H,8-11,13H2,(H2,25,28)(H,26,29)