1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-isoquinolin-5-yl-piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-isoquinolin-5-yl-piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(5-isoquinolyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(5-isoquinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-isoquinolin-5-ylpiperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(5-isoquinolyl)isonipecotamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H20N4O3S/c27-22(24-19-6-3-4-16-14-23-11-8-17(16)19)15-9-12-26(13-10-15)21-18-5-1-2-7-20(18)30(28,29)25-21/h1-8,11,14-15H,9-10,12-13H2,(H,24,27)