N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C18H22F3N3O5S MolecularWeight: 449.44459

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C18H22F3N3O5S/c19-18(20,21)29-14-2-1-3-15(10-14)30(27,28)24-8-6-12(7-9-24)17(26)22-11-16(25)23-13-4-5-13/h1-3,10,12-13H,4-9,11H2,(H,22,26)(H,23,25)