5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-benzoic acid

Systemtic Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-benzoic acid Openeye Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxy-benzoic acid CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2-methoxybenzoic acid IUPAC Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxybenzoic acid Traditional Name: 5-[4-(4-fluorophenyl)piperazino]sulfonyl-2-methoxy-benzoic acid Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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