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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-pyridylmethyl)piperazine CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-4-ylmethyl)piperazine Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-pyridylmethyl)piperazine Formula: C18H17F6N3O2S MolecularWeight: 453.401899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H17F6N3O2S/c19-17(20,21)14-9-15(18(22,23)24)11-16(10-14)30(28,29)27-7-5-26(6-8-27)12-13-1-3-25-4-2-13/h1-4,9-11H,5-8,12H2