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

Systemtic Name: N-cyclopentyl-5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-benzenesulfonamide Openeye Name: N-cyclopentyl-5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-benzenesulfonamide CAS Name: N-cyclopentyl-5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxybenzenesulfonamide IUPAC Name: N-cyclopentyl-5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxybenzenesulfonamide Traditional Name: 5-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-cyclopentyl-2-methoxy-benzenesulfonamide Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)NC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)NC5CCCC5

InChI

InChI=1S/C26H33N3O5S/c1-33-24-9-7-21(17-25(24)35(31,32)27-22-4-2-3-5-22)26(30)29-13-11-28(12-14-29)18-19-6-8-23-20(16-19)10-15-34-23/h6-9,16-17,22,27H,2-5,10-15,18H2,1H3/p+1