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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C26H27BrN2O3S2 MolecularWeight: 559.53818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H27BrN2O3S2/c27-23-6-4-5-21(17-23)19-34(31,32)29-15-13-22(14-16-29)26(30)28-24-11-9-20(10-12-24)18-33-25-7-2-1-3-8-25/h1-12,17,22H,13-16,18-19H2,(H,28,30)