(2-fluorophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (2-fluorophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: (2-fluorophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid (2-fluorobenzyl) ester Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18FN3O4S2/c20-14-7-2-1-6-13(14)12-27-19(24)16-9-3-4-11-23(16)29(25,26)17-10-5-8-15-18(17)22-28-21-15/h1-2,5-8,10,16H,3-4,9,11-12H2