1-[(4-bromophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(2-pyridylmethyl)isonipecotamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=N2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

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