phenyl 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-(4-piazthiol-4-ylsulfonylpiperazino)ethanesulfonic acid phenyl ester Formula: C18H20N4O5S3 MolecularWeight: 468.5702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N4O5S3/c23-29(24,27-15-5-2-1-3-6-15)14-13-21-9-11-22(12-10-21)30(25,26)17-8-4-7-16-18(17)20-28-19-16/h1-8H,9-14H2