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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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