N-(1-cyanocycloheptyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]acetamide Formula: C21H27F3N4O3S MolecularWeight: 472.52429

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H27F3N4O3S/c22-21(23,24)17-5-7-18(8-6-17)32(30,31)28-13-11-27(12-14-28)15-19(29)26-20(16-25)9-3-1-2-4-10-20/h5-8H,1-4,9-15H2,(H,26,29)