4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylic acid CAS Name: 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(4-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid Formula: C19H16FNO4S MolecularWeight: 373.398043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H16FNO4S/c1-11-16(19(22)23)17(12-3-7-14(20)8-4-12)18(21-11)13-5-9-15(10-6-13)26(2,24)25/h3-10,21H,1-2H3,(H,22,23)