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

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H15N5O3S2/c19-12-13-3-1-4-14(11-13)18(24)22-7-9-23(10-8-22)28(25,26)16-6-2-5-15-17(16)21-27-20-15/h1-6,11H,7-10H2