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

Systemtic Name: 2-(2H-indazol-3-yl)-1-(phenylsulfonyl)piperazin-1-ium-1-carbonitrile Openeye Name: 1-(benzenesulfonyl)-2-(2H-indazol-3-yl)piperazin-1-ium-1-carbonitrile CAS Name: 1-(benzenesulfonyl)-2-(2H-indazol-3-yl)-1-piperazin-1-iumcarbonitrile IUPAC Name: 1-(benzenesulfonyl)-2-(2H-indazol-3-yl)piperazin-1-ium-1-carbonitrile Traditional Name: 1-besyl-2-(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+](C(CN1)C2=C3C=CC=CC3=NN2)(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](C(CN1)C2=C3C=CC=CC3=NN2)(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

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