1-[(4-bromophenyl)methylsulfonyl]-N-(3-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-nitrophenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-nitrophenyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(3-nitrophenyl)isonipecotamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O5S/c20-16-6-4-14(5-7-16)13-29(27,28)22-10-8-15(9-11-22)19(24)21-17-2-1-3-18(12-17)23(25)26/h1-7,12,15H,8-11,13H2,(H,21,24)