[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22ClFN2O5S/c1-14(20(26)24-18-8-4-3-7-17(18)23)30-21(27)15-9-10-16(22)19(13-15)31(28,29)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,26)