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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N4O4S3 MolecularWeight: 474.57632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H18N4O4S3/c25-20(28-12-18-21-13-6-1-2-9-16(13)29-18)15-8-3-4-11-24(15)31(26,27)17-10-5-7-14-19(17)23-30-22-14/h1-2,5-7,9-10,15H,3-4,8,11-12H2