2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C18H23BrN5O5S+ MolecularWeight: 501.37472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C18H22BrN5O5S/c1-28-16-11-17(29-2)22-18(21-16)20-15(25)12-23-6-8-24(9-7-23)30(26,27)14-5-3-4-13(19)10-14/h3-5,10-11H,6-9,12H2,1-2H3,(H,20,21,22,25)/p+1