4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1-propyl-indole-2-carboxylic acid

Systemtic Name: 4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1-propyl-indole-2-carboxylic acid Openeye Name: 5-(4-hydroxy-2-methylsulfonyl-phenoxy)-4,6-dimethyl-1-propyl-indole-2-carboxylic acid CAS Name: 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1-propyl-2-indolecarboxylic acid IUPAC Name: 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1-propylindole-2-carboxylic acid Traditional Name: 5-(4-hydroxy-2-mesyl-phenoxy)-4,6-dimethyl-1-propyl-indole-2-carboxylic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC2=C1C=C(C(=C2C)OC3=C(C=C(C=C3)O)S(=O)(=O)C)C)C(=O)O

Isomeric SMILES

CCCN1C(=CC2=C1C=C(C(=C2C)OC3=C(C=C(C=C3)O)S(=O)(=O)C)C)C(=O)O

InChI

InChI=1S/C21H23NO6S/c1-5-8-22-16-9-12(2)20(13(3)15(16)11-17(22)21(24)25)28-18-7-6-14(23)10-19(18)29(4,26)27/h6-7,9-11,23H,5,8H2,1-4H3,(H,24,25)