2-[4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-(4-piazthiol-4-ylsulfonylpiperazino)butyl]isoindoline-1,3-quinone Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H21N5O5S2/c28-19(9-4-10-27-21(29)15-5-1-2-6-16(15)22(27)30)25-11-13-26(14-12-25)34(31,32)18-8-3-7-17-20(18)24-33-23-17/h1-3,5-8H,4,9-14H2