2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-phenyltetrazol-5-yl)piperazino]sulfonylbenzonitrile Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C18H17N7O2S/c19-14-15-6-4-5-9-17(15)28(26,27)24-12-10-23(11-13-24)18-20-21-22-25(18)16-7-2-1-3-8-16/h1-9H,10-13H2