3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoate IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonyl-4-methoxy-benzoate Formula: C18H18FN2O5S- MolecularWeight: 393.409323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O5S/c1-26-16-7-2-13(18(22)23)12-17(16)27(24,25)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3,(H,22,23)/p-1