4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-methylbenzamide Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-22-21(25)17-3-5-19(6-4-17)29(26,27)24-11-9-23(10-12-24)15-16-2-7-20-18(14-16)8-13-28-20/h2-7,14H,8-13,15H2,1H3,(H,22,25)/p+1