3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H28N4O4S/c23-31(28,29)20-4-2-19(3-5-20)24-22(27)7-9-25-10-12-26(13-11-25)16-17-1-6-21-18(15-17)8-14-30-21/h1-6,15H,7-14,16H2,(H,24,27)(H2,23,28,29)/p+1