[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]-(4-pyridyl)methanone Formula: C18H15F6N3O3S MolecularWeight: 467.385419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F6N3O3S/c19-17(20,21)13-9-14(18(22,23)24)11-15(10-13)31(29,30)27-7-5-26(6-8-27)16(28)12-1-3-25-4-2-12/h1-4,9-11H,5-8H2