ethyl 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H19ClF3N3O4S MolecularWeight: 477.88507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N3O4S/c1-2-30-18(27)13-3-5-15(6-4-13)31(28,29)26-9-7-25(8-10-26)17-16(20)11-14(12-24-17)19(21,22)23/h3-6,11-12H,2,7-10H2,1H3