2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1H-indazol-6-yl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1H-indazol-6-yl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1H-indazol-6-yl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1H-indazol-6-yl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1H-indazol-6-yl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(1H-indazol-6-yl)acetamide Formula: C19H21BrN5O3S+ MolecularWeight: 479.37074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)C=NN3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)C=NN3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrN5O3S/c20-15-2-5-17(6-3-15)29(27,28)25-9-7-24(8-10-25)13-19(26)22-16-4-1-14-12-21-23-18(14)11-16/h1-6,11-12H,7-10,13H2,(H,21,23)(H,22,26)/p+1