1-[(2-fluorophenyl)methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-fluorobenzyl)-N-(4-pyrrolidinosulfonylphenyl)isonipecotamide Formula: C23H28FN3O3S MolecularWeight: 445.550123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H28FN3O3S/c24-22-6-2-1-5-19(22)17-26-15-11-18(12-16-26)23(28)25-20-7-9-21(10-8-20)31(29,30)27-13-3-4-14-27/h1-2,5-10,18H,3-4,11-17H2,(H,25,28)