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

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-[4-(4-fluorophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-3-(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=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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