methyl 3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]furan-2-carboxylate CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]furan-2-carboxylate Traditional Name: 3-[(4-benzylsulfonylpiperazino)methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O5S/c1-24-18(21)17-16(7-12-25-17)13-19-8-10-20(11-9-19)26(22,23)14-15-5-3-2-4-6-15/h2-7,12H,8-11,13-14H2,1H3