2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H27N3O5S/c1-16-11-17(2)13-18(12-16)23-22(26)15-24-5-7-25(8-6-24)31(27,28)19-3-4-20-21(14-19)30-10-9-29-20/h3-4,11-14H,5-10,15H2,1-2H3,(H,23,26)/p+1