3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazino]benzoic acid Formula: C24H24FN3O5S MolecularWeight: 485.527863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C24H24FN3O5S/c1-33-23-8-3-2-7-22(23)28-13-11-27(12-14-28)21-10-9-17(24(29)30)15-20(21)26-34(31,32)19-6-4-5-18(25)16-19/h2-10,15-16,26H,11-14H2,1H3,(H,29,30)