5-[(4-ethoxyphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-5-(p-phenetylsulfonylamino)benzoic acid Formula: C25H26FN3O5S MolecularWeight: 499.554443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4F)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4F)C(=O)O

InChI

InChI=1S/C25H26FN3O5S/c1-2-34-19-8-10-20(11-9-19)35(32,33)27-18-7-12-23(21(17-18)25(30)31)28-13-15-29(16-14-28)24-6-4-3-5-22(24)26/h3-12,17,27H,2,13-16H2,1H3,(H,30,31)