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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-nitrophenyl)piperidine-3-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(3-nitrophenyl)nipecotamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c24-19(20-14-6-3-7-15(11-14)23(25)26)13-5-4-10-22(12-13)18-16-8-1-2-9-17(16)29(27,28)21-18/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,24)