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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-phenylazanylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-anilinophenyl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(4-anilinophenyl)sulfonyl-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-anilinophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-anilinophenyl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)NC4=CC=CC=C4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)NC4=CC=CC=C4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C23H19FN2O4S/c1-15-20(14-23(27)28)21-13-16(24)7-12-22(21)26(15)31(29,30)19-10-8-18(9-11-19)25-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,27,28)