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

Systemtic Name: N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C26H28N3O4S+ MolecularWeight: 478.58322

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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)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c30-26(21-7-9-23(10-8-21)27-34(31,32)24-4-2-1-3-5-24)29-15-13-28(14-16-29)19-20-6-11-25-22(18-20)12-17-33-25/h1-11,18,27H,12-17,19H2/p+1