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

Systemtic Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(4-ethylphenyl)sulfonylamino]-4-[4-(2-fluorophenyl)piperazino]benzoic acid Formula: C25H26FN3O4S MolecularWeight: 483.555043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O4S/c1-2-18-7-10-20(11-8-18)34(32,33)27-22-17-19(25(30)31)9-12-24(22)29-15-13-28(14-16-29)23-6-4-3-5-21(23)26/h3-12,17,27H,2,13-16H2,1H3,(H,30,31)