methyl 2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[(4-besylpiperazino)methyl]furan-3-carboxylic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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