methyl 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylate

Systemtic Name: methyl 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylate Openeye Name: methyl 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylate CAS Name: 4-[[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]sulfonyl]-2,5-dimethyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate Traditional Name: 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylic acid methyl ester Formula: C25H27N2O5S+ MolecularWeight: 467.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C(=O)OC

InChI

InChI=1S/C25H26N2O5S/c1-16-22(25(28)31-3)24(17(2)32-16)33(29,30)27-14-12-26(13-15-27)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-11,23H,12-15H2,1-3H3/p+1