methyl 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methyl]furan-2-carboxylic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(O3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(O3)C(=O)OC)C)C

InChI

InChI=1S/C21H28N2O5S/c1-14-12-15(2)17(4)20(16(14)3)29(25,26)23-10-8-22(9-11-23)13-18-6-7-19(28-18)21(24)27-5/h6-7,12H,8-11,13H2,1-5H3