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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-pyrrolidin-1-ylpyridin-3-yl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-pyrrolidin-1-yl-3-pyridyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(1-pyrrolidinyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-pyrrolidin-1-ylpyridin-3-yl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(2-pyrrolidino-3-pyridyl)isonipecotamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)NC(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)NC(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H25N5O3S/c28-22(24-18-7-5-11-23-21(18)26-12-3-4-13-26)16-9-14-27(15-10-16)20-17-6-1-2-8-19(17)31(29,30)25-20/h1-2,5-8,11,16H,3-4,9-10,12-15H2,(H,24,28)