tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate Openeye Name: tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindole-2-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid tert-butyl ester Formula: C27H24F3NO5S MolecularWeight: 531.54337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H24F3NO5S/c1-26(2,3)36-25(32)24-23(17-12-14-19(35-4)15-13-17)21-10-5-6-11-22(21)31(24)37(33,34)20-9-7-8-18(16-20)27(28,29)30/h5-16H,1-4H3