N-(2-imidazol-1-ylethyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-imidazol-1-ylethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-imidazolyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-imidazol-1-ylethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-imidazol-1-ylethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C18H21F3N4O4S MolecularWeight: 446.44395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCN2C=CN=C2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCN2C=CN=C2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C18H21F3N4O4S/c19-18(20,21)29-15-2-1-3-16(12-15)30(27,28)25-8-4-14(5-9-25)17(26)23-7-11-24-10-6-22-13-24/h1-3,6,10,12-14H,4-5,7-9,11H2,(H,23,26)