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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-16-3-5-19(29-2)18(13-16)23-22(26)15-24-7-9-25(10-8-24)32(27,28)17-4-6-20-21(14-17)31-12-11-30-20/h3-6,13-14H,7-12,15H2,1-2H3,(H,23,26)/p+1