methyl 5-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-besylpiperazino)methyl]furan-2-carboxylic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O5S/c1-23-17(20)16-8-7-14(24-16)13-18-9-11-19(12-10-18)25(21,22)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3