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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

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