methyl 3-chloranyl-5-fluoranyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate

Systemtic Name: methyl 3-chloranyl-5-fluoranyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate Openeye Name: methyl 3-chloro-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate CAS Name: 3-chloro-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-chloro-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindole-2-carboxylate Traditional Name: 3-chloro-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid methyl ester Formula: C17H10ClF4NO4S MolecularWeight: 435.777213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)F)Cl

InChI

InChI=1S/C17H10ClF4NO4S/c1-27-16(24)15-14(18)12-8-10(19)5-6-13(12)23(15)28(25,26)11-4-2-3-9(7-11)17(20,21)22/h2-8H,1H3