5-cyano-6-[[3-[(phenylmethyl)sulfonylcarbamoyl]cyclopentyl]amino]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: 5-cyano-6-[[3-[(phenylmethyl)sulfonylcarbamoyl]cyclopentyl]amino]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: 6-[[3-(benzylsulfonylcarbamoyl)cyclopentyl]amino]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]cyclopentyl]amino]-2-(trifluoromethyl)-3-pyridinecarboxylate IUPAC Name: 6-[[3-(benzylsulfonylcarbamoyl)cyclopentyl]amino]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[[3-(benzylsulfonylcarbamoyl)cyclopentyl]amino]-5-cyano-2-(trifluoromethyl)nicotinate Formula: C21H18F3N4O5S- MolecularWeight: 495.45163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(=O)NS(=O)(=O)CC2=CC=CC=C2)NC3=NC(=C(C=C3C#N)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC(CC1C(=O)NS(=O)(=O)CC2=CC=CC=C2)NC3=NC(=C(C=C3C#N)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H19F3N4O5S/c22-21(23,24)17-16(20(30)31)9-14(10-25)18(27-17)26-15-7-6-13(8-15)19(29)28-34(32,33)11-12-4-2-1-3-5-12/h1-5,9,13,15H,6-8,11H2,(H,26,27)(H,28,29)(H,30,31)/p-1