methyl 5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-21(2,3)16-5-8-18(9-6-16)29(25,26)23-13-11-22(12-14-23)15-17-7-10-19(28-17)20(24)27-4/h5-10H,11-15H2,1-4H3