1-[(3-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(phenylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-(phenylthio)phenyl]isonipecotamide Formula: C25H25BrN2O3S2 MolecularWeight: 545.5116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O3S2/c26-21-8-6-7-19(17-21)18-33(30,31)28-15-13-20(14-16-28)25(29)27-23-11-4-5-12-24(23)32-22-9-2-1-3-10-22/h1-12,17,20H,13-16,18H2,(H,27,29)