2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1-ethyl-benzimidazole-5-sulfonamide Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H31N5O4S/c1-2-30-22-5-4-20(35(26,32)33)16-21(22)27-24(30)7-8-25(31)29-12-10-28(11-13-29)17-18-3-6-23-19(15-18)9-14-34-23/h3-6,15-16H,2,7-14,17H2,1H3,(H2,26,32,33)/p+1