4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(4-piazthiol-4-ylsulfonylpiperazino)butyrate Formula: C14H15N4O5S2- MolecularWeight: 383.4227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)[O-])S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)[O-])S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C14H16N4O5S2/c19-12(4-5-13(20)21)17-6-8-18(9-7-17)25(22,23)11-3-1-2-10-14(11)16-24-15-10/h1-3H,4-9H2,(H,20,21)/p-1