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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

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