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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

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