[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20BrFN2O5S MolecularWeight: 499.350603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H20BrFN2O5S/c21-14-8-9-17(16(22)12-14)23-19(25)13-29-20(26)15-6-2-3-7-18(15)30(27,28)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,25)