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

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 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-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 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-carbomethoxybenzyl) ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-29-21(25)17-6-4-5-15(13-17)14-30-22(26)16-9-11-24(12-10-16)20-18-7-2-3-8-19(18)31(27,28)23-20/h2-8,13,16H,9-12,14H2,1H3