[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C20H18BrN3O5S2 MolecularWeight: 524.40802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O5S2/c21-14-6-3-5-13(11-14)17(25)12-29-20(26)16-8-1-2-10-24(16)31(27,28)18-9-4-7-15-19(18)23-30-22-15/h3-7,9,11,16H,1-2,8,10,12H2