1-(5-bromanylthiophen-2-yl)sulfonyl-N-(1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-3-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-(1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-3-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(1-oxo-2H-isoquinolin-3-yl)piperidine-3-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(1-oxo-2H-isoquinolin-3-yl)-3-piperidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-(1-oxo-2H-isoquinolin-3-yl)piperidine-3-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(1-keto-2H-isoquinolin-3-yl)nipecotamide Formula: C19H18BrN3O4S2 MolecularWeight: 496.39792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C19H18BrN3O4S2/c20-15-7-8-17(28-15)29(26,27)23-9-3-5-13(11-23)18(24)21-16-10-12-4-1-2-6-14(12)19(25)22-16/h1-2,4,6-8,10,13H,3,5,9,11H2,(H2,21,22,24,25)