1-[(3-bromophenyl)methylsulfonyl]-N-(2-chloranyl-5-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-chloranyl-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-chloro-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-chloro-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-chloro-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2-chloro-5-nitro-phenyl)isonipecotamide Formula: C19H19BrClN3O5S MolecularWeight: 516.79326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrClN3O5S/c20-15-3-1-2-13(10-15)12-30(28,29)23-8-6-14(7-9-23)19(25)22-18-11-16(24(26)27)4-5-17(18)21/h1-5,10-11,14H,6-9,12H2,(H,22,25)