5-[[5-[(2-fluorophenyl)methylsulfonyl]-4-methyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[[5-[(2-fluorophenyl)methylsulfonyl]-4-methyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[[5-[(2-fluorophenyl)methylsulfonyl]-4-methyl-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-[(2-fluorophenyl)methylsulfonyl]-4-methyl-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-[(2-fluorophenyl)methylsulfonyl]-4-methyl-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[5-(2-fluorobenzyl)sulfonyl-2-keto-4-methyl-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H22FN2O5S+ MolecularWeight: 469.505283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CC(=O)[N+]2=CC3=C(C(=C(N3)C)C(=O)O)C)S(=O)(=O)CC4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=CC2=C1CC(=O)[N+]2=CC3=C(C(=C(N3)C)C(=O)O)C)S(=O)(=O)CC4=CC=CC=C4F

InChI

InChI=1S/C24H21FN2O5S/c1-13-17-10-22(28)27(11-19-14(2)23(24(29)30)15(3)26-19)20(17)8-9-21(13)33(31,32)12-16-6-4-5-7-18(16)25/h4-9,11H,10,12H2,1-3H3,(H,29,30)/p+1