(4-ethanoyl-2-methoxy-phenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (4-acetyl-2-methoxy-phenyl) 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 (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 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 (4-acetyl-2-methoxy-phenyl) ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-14(25)16-7-8-18(19(13-16)29-2)30-22(26)15-9-11-24(12-10-15)21-17-5-3-4-6-20(17)31(27,28)23-21/h3-8,13,15H,9-12H2,1-2H3