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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Formula: C20H25BrN3O5S+ MolecularWeight: 499.3986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H24BrN3O5S/c1-28-18-8-5-16(13-19(18)29-2)22-20(25)14-23-9-11-24(12-10-23)30(26,27)17-6-3-15(21)4-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1