[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C20H19ClF3N3O5S MolecularWeight: 505.89517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N3O5S/c21-16-10-14(20(22,23)24)11-25-18(16)26-17(28)12-32-19(29)13-5-4-6-15(9-13)33(30,31)27-7-2-1-3-8-27/h4-6,9-11H,1-3,7-8,12H2,(H,25,26,28)