1-[(3-bromophenyl)methylsulfonyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[[4-(1-piperidyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[[4-(1-piperidinyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(4-piperidinobenzyl)isonipecotamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H32BrN3O3S/c26-23-6-4-5-21(17-23)19-33(31,32)29-15-11-22(12-16-29)25(30)27-18-20-7-9-24(10-8-20)28-13-2-1-3-14-28/h4-10,17,22H,1-3,11-16,18-19H2,(H,27,30)