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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C20H23BrN3O5S+ MolecularWeight: 497.38272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H22BrN3O5S/c21-15-1-4-17(5-2-15)30(26,27)24-9-7-23(8-10-24)14-20(25)22-16-3-6-18-19(13-16)29-12-11-28-18/h1-6,13H,7-12,14H2,(H,22,25)/p+1