N-(2-methoxydibenzofuran-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxydibenzofuran-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxydibenzofuran-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-3-dibenzofuranyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxydibenzofuran-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxydibenzofuran-3-yl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C26H28N3O5S+ MolecularWeight: 494.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

InChI

InChI=1S/C26H27N3O5S/c1-18-7-9-19(10-8-18)35(31,32)29-13-11-28(12-14-29)17-26(30)27-22-16-24-21(15-25(22)33-2)20-5-3-4-6-23(20)34-24/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30)/p+1