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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2C(C)C)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C(N2C(C)C)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C

InChI

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