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

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]benzonitrile Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H17N5O2S2/c19-12-14-4-1-2-5-15(14)13-22-8-10-23(11-9-22)27(24,25)17-7-3-6-16-18(17)21-26-20-16/h1-7H,8-11,13H2