5-(2-methylsulfonyloxyethyl)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid

Systemtic Name: 5-(2-methylsulfonyloxyethyl)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid Openeye Name: 5-(2-methylsulfonyloxyethyl)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid CAS Name: 5-(2-methylsulfonyloxyethyl)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid IUPAC Name: 5-(2-methylsulfonyloxyethyl)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid Traditional Name: 5-(2-methylsulfonyloxyethyl)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid Formula: C13H12F3NO5S MolecularWeight: 351.29829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1=CC2=C(C=C1)NC(=C2C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OCCC1=CC2=C(C=C1)NC(=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H12F3NO5S/c1-23(20,21)22-5-4-7-2-3-9-8(6-7)10(12(18)19)11(17-9)13(14,15)16/h2-3,6,17H,4-5H2,1H3,(H,18,19)