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

Systemtic Name: (4-phenoxyphenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (4-phenoxyphenyl) 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-phenoxyphenyl) ester IUPAC Name: (4-phenoxyphenyl) 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-phenoxyphenyl) ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H22N2O5S/c28-25(32-21-12-10-20(11-13-21)31-19-6-2-1-3-7-19)18-14-16-27(17-15-18)24-22-8-4-5-9-23(22)33(29,30)26-24/h1-13,18H,14-17H2