3-bromanyl-5-fluoranyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid

Systemtic Name: 3-bromanyl-5-fluoranyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid Openeye Name: 3-bromo-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid CAS Name: 3-bromo-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 3-bromo-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindole-2-carboxylic acid Traditional Name: 3-bromo-5-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid Formula: C16H8BrF4NO4S MolecularWeight: 466.201633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N2C3=C(C=C(C=C3)F)C(=C2C(=O)O)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N2C3=C(C=C(C=C3)F)C(=C2C(=O)O)Br)C(F)(F)F

InChI

InChI=1S/C16H8BrF4NO4S/c17-13-11-7-9(18)4-5-12(11)22(14(13)15(23)24)27(25,26)10-3-1-2-8(6-10)16(19,20)21/h1-7H,(H,23,24)