(3,5-dimethoxyphenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: (3,5-dimethoxyphenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (3,5-dimethoxyphenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid (3,5-dimethoxyphenyl) ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C21H22N2O6S/c1-27-15-11-16(28-2)13-17(12-15)29-21(24)14-7-9-23(10-8-14)20-18-5-3-4-6-19(18)30(25,26)22-20/h3-6,11-14H,7-10H2,1-2H3