(4-cyanophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid (4-cyanobenzyl) ester Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H18N4O4S2/c21-12-14-7-9-15(10-8-14)13-28-20(25)17-5-1-2-11-24(17)30(26,27)18-6-3-4-16-19(18)23-29-22-16/h3-4,6-10,17H,1-2,5,11,13H2