(3-chlorophenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: (3-chlorophenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (3-chlorophenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid (3-chlorophenyl) ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H17ClN2O4S/c20-14-6-3-7-15(11-14)26-19(23)13-5-4-10-22(12-13)18-16-8-1-2-9-17(16)27(24,25)21-18/h1-3,6-9,11,13H,4-5,10,12H2