ethyl 5-bromanyl-3-[2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(trifluoromethyl)-1-pyrrolidinyl]sulfonyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[2-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-(trifluoromethyl)pyrrolidino]sulfonyl-1H-indole-2-carboxylic acid ethyl ester Formula: C16H16BrF3N2O4S MolecularWeight: 469.27345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)S(=O)(=O)N3CCCC3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)S(=O)(=O)N3CCCC3C(F)(F)F

InChI

InChI=1S/C16H16BrF3N2O4S/c1-2-26-15(23)13-14(10-8-9(17)5-6-11(10)21-13)27(24,25)22-7-3-4-12(22)16(18,19)20/h5-6,8,12,21H,2-4,7H2,1H3