N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3-pyridylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-(3-pyridinylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-pyridylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C18H19F3N4O4S MolecularWeight: 444.42807

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H19F3N4O4S/c19-18(20,21)29-15-3-5-16(6-4-15)30(27,28)25-10-8-24(9-11-25)17(26)23-13-14-2-1-7-22-12-14/h1-7,12H,8-11,13H2,(H,23,26)