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

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-furfuryl)benzenesulfonamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CO5

InChI

InChI=1S/C25H27N3O5S/c29-25(20-4-6-23(7-5-20)34(30,31)26-17-22-2-1-14-32-22)28-12-10-27(11-13-28)18-19-3-8-24-21(16-19)9-15-33-24/h1-8,14,16,26H,9-13,15,17-18H2/p+1