4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pyridin-4-yl-piperazine-1-carboxamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pyridin-4-yl-piperazine-1-carboxamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-pyridyl)piperazine-1-carboxamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pyridin-4-yl-1-piperazinecarboxamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pyridin-4-ylpiperazine-1-carboxamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-pyridyl)piperazine-1-carboxamide Formula: C18H16F6N4O3S MolecularWeight: 482.400059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)NC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H16F6N4O3S/c19-17(20,21)12-9-13(18(22,23)24)11-15(10-12)32(30,31)28-7-5-27(6-8-28)16(29)26-14-1-3-25-4-2-14/h1-4,9-11H,5-8H2,(H,25,26,29)