3-(1-methylpiperazin-1-ium-1-yl)-1-(phenylsulfonyl)indazole

Systemtic Name: 3-(1-methylpiperazin-1-ium-1-yl)-1-(phenylsulfonyl)indazole Openeye Name: 1-(benzenesulfonyl)-3-(1-methylpiperazin-1-ium-1-yl)indazole CAS Name: 1-(benzenesulfonyl)-3-(1-methyl-1-piperazin-1-iumyl)indazole IUPAC Name: 1-(benzenesulfonyl)-3-(1-methylpiperazin-1-ium-1-yl)indazole Traditional Name: 1-besyl-3-(1-methylpiperazin-1-ium-1-yl)indazole Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=NN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCNCC1)C2=NN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H21N4O2S/c1-22(13-11-19-12-14-22)18-16-9-5-6-10-17(16)21(20-18)25(23,24)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3/q+1