1-[(4-bromophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2-oxolanylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(tetrahydrofurfuryl)isonipecotamide Formula: C18H25BrN2O4S MolecularWeight: 445.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H25BrN2O4S/c19-16-5-3-14(4-6-16)13-26(23,24)21-9-7-15(8-10-21)18(22)20-12-17-2-1-11-25-17/h3-6,15,17H,1-2,7-13H2,(H,20,22)