methyl 5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(O3)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(O3)C)C(=O)OC)C

InChI

InChI=1S/C20H26N2O5S/c1-14-5-6-18(11-15(14)2)28(24,25)22-9-7-21(8-10-22)13-17-12-19(16(3)27-17)20(23)26-4/h5-6,11-12H,7-10,13H2,1-4H3