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

Systemtic Name: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]benzonitrile Traditional Name: 4-(4-benzofurazan-4-ylsulfonylpiperazino)benzonitrile Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C17H15N5O3S/c18-12-13-4-6-14(7-5-13)21-8-10-22(11-9-21)26(23,24)16-3-1-2-15-17(16)20-25-19-15/h1-7H,8-11H2