N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H30F3N3O4S MolecularWeight: 489.55151

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H30F3N3O4S/c23-22(24,25)18-6-4-7-19(16-18)33(31,32)28-14-9-17(10-15-28)21(30)26-11-5-13-27-12-3-1-2-8-20(27)29/h4,6-7,16-17H,1-3,5,8-15H2,(H,26,30)