1-(5-bromanylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(3-pyridylmethyl)nipecotamide Formula: C16H18BrN3O3S2 MolecularWeight: 444.36642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H18BrN3O3S2/c17-14-5-6-15(24-14)25(22,23)20-8-2-4-13(11-20)16(21)19-10-12-3-1-7-18-9-12/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,19,21)