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

Systemtic Name: 1-ethyl-4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)indole-2-carboxylic acid Openeye Name: 1-ethyl-5-(4-hydroxy-2-methylsulfonyl-phenoxy)-4,6-dimethyl-indole-2-carboxylic acid CAS Name: 1-ethyl-5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-2-indolecarboxylic acid IUPAC Name: 1-ethyl-5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethylindole-2-carboxylic acid Traditional Name: 1-ethyl-5-(4-hydroxy-2-mesyl-phenoxy)-4,6-dimethyl-indole-2-carboxylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C(=C2C)OC3=C(C=C(C=C3)O)S(=O)(=O)C)C)C(=O)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C(=C2C)OC3=C(C=C(C=C3)O)S(=O)(=O)C)C)C(=O)O

InChI

InChI=1S/C20H21NO6S/c1-5-21-15-8-11(2)19(12(3)14(15)10-16(21)20(23)24)27-17-7-6-13(22)9-18(17)28(4,25)26/h6-10,22H,5H2,1-4H3,(H,23,24)