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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methyl-3-pyrazolyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-3-yl)isonipecotamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H19N5O3S/c1-21-9-8-15(19-21)18-17(23)12-6-10-22(11-7-12)16-13-4-2-3-5-14(13)26(24,25)20-16/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,18,19,23)