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

Systemtic Name: 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-1-(3-mesylphenyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2=CC(=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H16ClNO4S/c1-12-17(19(22)23)11-18(13-6-8-14(20)9-7-13)21(12)15-4-3-5-16(10-15)26(2,24)25/h3-11H,1-2H3,(H,22,23)