methyl 3-bromanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate

Systemtic Name: methyl 3-bromanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate Openeye Name: methyl 3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate CAS Name: 3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindole-2-carboxylate Traditional Name: 3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid methyl ester Formula: C17H11BrF3NO4S MolecularWeight: 462.23775

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Br

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Br

InChI

InChI=1S/C17H11BrF3NO4S/c1-26-16(23)15-14(18)12-7-2-3-8-13(12)22(15)27(24,25)11-6-4-5-10(9-11)17(19,20)21/h2-9H,1H3