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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H30F3N3O3S MolecularWeight: 461.54141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H30F3N3O3S/c22-21(23,24)18-6-5-7-19(16-18)31(29,30)27-13-8-17(9-14-27)20(28)25-10-15-26-11-3-1-2-4-12-26/h5-7,16-17H,1-4,8-15H2,(H,25,28)