(4-bromophenyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-bromophenyl) ester Formula: C19H17BrF3NO4S MolecularWeight: 492.30679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H17BrF3NO4S/c20-15-4-6-16(7-5-15)28-18(25)13-8-10-24(11-9-13)29(26,27)17-3-1-2-14(12-17)19(21,22)23/h1-7,12-13H,8-11H2