[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-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-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H20N4O7S2 MolecularWeight: 504.5361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H20N4O7S2/c26-19(22-13-7-8-16-17(10-13)32-12-31-16)11-30-21(27)15-5-1-2-9-25(15)34(28,29)18-6-3-4-14-20(18)24-33-23-14/h3-4,6-8,10,15H,1-2,5,9,11-12H2,(H,22,26)