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

Systemtic Name: (3-cyanophenyl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (3-cyanophenyl)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-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)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-cyanobenzyl) ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19N3O4S/c22-13-15-4-3-5-16(12-15)14-28-21(25)17-8-10-24(11-9-17)20-18-6-1-2-7-19(18)29(26,27)23-20/h1-7,12,17H,8-11,14H2