7-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]-1-benzofuran-5-sulfonic acid

Systemtic Name: 7-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]-1-benzofuran-5-sulfonic acid Openeye Name: 7-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]benzofuran-5-sulfonic acid CAS Name: 7-(1-piperazinyl)-2-[2-(trifluoromethyl)phenyl]-5-benzofuransulfonic acid IUPAC Name: 7-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]-1-benzofuran-5-sulfonic acid Traditional Name: 7-piperazino-2-[2-(trifluoromethyl)phenyl]benzofuran-5-sulfonic acid Formula: C19H17F3N2O4S MolecularWeight: 426.40949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)O)C=C(O3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)O)C=C(O3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C19H17F3N2O4S/c20-19(21,22)15-4-2-1-3-14(15)17-10-12-9-13(29(25,26)27)11-16(18(12)28-17)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,25,26,27)