1-(2H-indazol-3-yl)-4-(phenylsulfonyl)piperazin-1-ium-1-carbonitrile

Systemtic Name: 1-(2H-indazol-3-yl)-4-(phenylsulfonyl)piperazin-1-ium-1-carbonitrile Openeye Name: 4-(benzenesulfonyl)-1-(2H-indazol-3-yl)piperazin-1-ium-1-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-(2H-indazol-3-yl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 4-(benzenesulfonyl)-1-(2H-indazol-3-yl)piperazin-1-ium-1-carbonitrile Traditional Name: 4-besyl-1-(2H-indazol-3-yl)piperazin-1-ium-1-carbonitrile Formula: C18H18N5O2S+ MolecularWeight: 368.43282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1S(=O)(=O)C2=CC=CC=C2)(C#N)C3=C4C=CC=CC4=NN3

Isomeric SMILES

C1C[N+](CCN1S(=O)(=O)C2=CC=CC=C2)(C#N)C3=C4C=CC=CC4=NN3

InChI

InChI=1S/C18H18N5O2S/c19-14-23(18-16-8-4-5-9-17(16)20-21-18)12-10-22(11-13-23)26(24,25)15-6-2-1-3-7-15/h1-9H,10-13H2,(H,20,21)/q+1