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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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