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

Systemtic Name: methyl 2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[(4-mesitylsulfonylpiperazino)methyl]furan-3-carboxylic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CO3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CO3)C(=O)OC)C

InChI

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