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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]benzonitrile Traditional Name: 2-(4-piazthiol-4-ylsulfonylpiperazino)benzonitrile Formula: C17H15N5O2S2 MolecularWeight: 385.4633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H15N5O2S2/c18-12-13-4-1-2-6-15(13)21-8-10-22(11-9-21)26(23,24)16-7-3-5-14-17(16)20-25-19-14/h1-7H,8-11H2