N-[2,6-bis(chloranyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,6-dichlorophenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,6-dichlorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,6-dichlorophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2,6-dichlorophenyl)isonipecotamide Formula: C19H19BrCl2N2O3S MolecularWeight: 506.24076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC=C2Cl)Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC=C2Cl)Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrCl2N2O3S/c20-15-4-1-3-13(11-15)12-28(26,27)24-9-7-14(8-10-24)19(25)23-18-16(21)5-2-6-17(18)22/h1-6,11,14H,7-10,12H2,(H,23,25)