2-[1-(4-tert-butylphenyl)sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-tert-butylphenyl)sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C21H22FNO4S MolecularWeight: 403.467083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C21H22FNO4S/c1-13-17(12-20(24)25)18-11-15(22)7-10-19(18)23(13)28(26,27)16-8-5-14(6-9-16)21(2,3)4/h5-11H,12H2,1-4H3,(H,24,25)