ethyl 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-piazthiol-4-ylsulfonylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N4O6S3/c1-2-29-19(24)14-6-8-15(9-7-14)31(25,26)22-10-12-23(13-11-22)32(27,28)17-5-3-4-16-18(17)21-30-20-16/h3-9H,2,10-13H2,1H3