ethyl 4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H20F3N3O4S MolecularWeight: 443.44001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4S/c1-2-29-18(26)14-3-6-16(7-4-14)30(27,28)25-11-9-24(10-12-25)17-8-5-15(13-23-17)19(20,21)22/h3-8,13H,2,9-12H2,1H3