3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid Openeye Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid CAS Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindole-2-carboxylic acid Traditional Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indole-2-carboxylic acid Formula: C23H16F3NO5S MolecularWeight: 475.43705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H16F3NO5S/c1-32-16-11-9-14(10-12-16)20-18-7-2-3-8-19(18)27(21(20)22(28)29)33(30,31)17-6-4-5-15(13-17)23(24,25)26/h2-13H,1H3,(H,28,29)