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

Systemtic Name: phenacyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: phenacyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid phenacyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H19N3O5S2/c24-17(14-7-2-1-3-8-14)13-28-20(25)16-10-4-5-12-23(16)30(26,27)18-11-6-9-15-19(18)22-29-21-15/h1-3,6-9,11,16H,4-5,10,12-13H2