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

Systemtic Name: 4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1H-indole-2-carboxylic acid Openeye Name: 5-(4-hydroxy-2-methylsulfonyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 5-(4-hydroxy-2-mesyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C

InChI

InChI=1S/C18H17NO6S/c1-9-6-13-12(8-14(19-13)18(21)22)10(2)17(9)25-15-5-4-11(20)7-16(15)26(3,23)24/h4-8,19-20H,1-3H3,(H,21,22)