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

Systemtic Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C25H28N3O4S2+ MolecularWeight: 498.63752

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CS5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CS5

InChI

InChI=1S/C25H27N3O4S2/c29-25(21-3-1-5-23(16-21)34(30,31)26-17-22-4-2-14-33-22)28-11-9-27(10-12-28)18-19-6-7-24-20(15-19)8-13-32-24/h1-7,14-16,26H,8-13,17-18H2/p+1