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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F

InChI

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