4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrole-2-sulfonate; pyridin-1-ium

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrole-2-sulfonate; pyridin-1-ium Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrole-2-sulfonate; pyridin-1-ium CAS Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrole-2-sulfonate; pyridin-1-ium IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrole-2-sulfonate; pyridin-1-ium Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-1H-pyrrole-2-sulfonate; pyridin-1-ium Formula: C22H19FN2O5S2 MolecularWeight: 474.525063

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(N2)S(=O)(=O)[O-])C3=CC=C(C=C3)F.C1=CC=[NH+]C=C1

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(N2)S(=O)(=O)[O-])C3=CC=C(C=C3)F.C1=CC=[NH+]C=C1

InChI

InChI=1S/C17H14FNO5S2.C5H5N/c1-25(20,21)14-8-4-12(5-9-14)17-15(10-16(19-17)26(22,23)24)11-2-6-13(18)7-3-11;1-2-4-6-5-3-1/h2-10,19H,1H3,(H,22,23,24);1-5H