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

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c20-18-5-3-15(4-6-18)14-27(25,26)23-10-7-17(8-11-23)19(24)22-13-16-2-1-9-21-12-16/h1-6,9,12,17H,7-8,10-11,13-14H2,(H,22,24)