5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,3-dimethyl-benzenesulfonamide

Systemtic Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,3-dimethyl-benzenesulfonamide Openeye Name: 5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,3-dimethyl-benzenesulfonamide CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2,3-dimethylbenzenesulfonamide IUPAC Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,3-dimethylbenzenesulfonamide Traditional Name: 5-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,3-dimethyl-benzenesulfonamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)N)C

InChI

InChI=1S/C22H27N3O4S/c1-15-11-19(13-21(16(15)2)30(23,27)28)22(26)25-8-6-24(7-9-25)14-17-3-4-20-18(12-17)5-10-29-20/h3-4,11-13H,5-10,14H2,1-2H3,(H2,23,27,28)/p+1