methyl 5-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]oxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butanoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C23H28N2O8S/c1-16-4-5-17(2)20(14-16)34(29,30)25-12-10-24(11-13-25)21(26)8-9-22(27)32-15-18-6-7-19(33-18)23(28)31-3/h4-7,14H,8-13,15H2,1-3H3