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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-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-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H19N5O5S3 MolecularWeight: 517.60106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H19N5O5S3/c27-18(23-21-22-13-6-1-2-9-16(13)32-21)12-31-20(28)15-8-3-4-11-26(15)34(29,30)17-10-5-7-14-19(17)25-33-24-14/h1-2,5-7,9-10,15H,3-4,8,11-12H2,(H,22,23,27)