[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O5S3/c23-15(19-13-3-1-4-14-17(13)21-29-20-14)11-27-18(24)12-6-8-22(9-7-12)30(25,26)16-5-2-10-28-16/h1-5,10,12H,6-9,11H2,(H,19,23)