2-[5-fluoranyl-2-methyl-1-[4-(1,2-oxazol-3-ylamino)phenyl]sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[4-(1,2-oxazol-3-ylamino)phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-1-[4-(isoxazol-3-ylamino)phenyl]sulfonyl-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-1-[4-(3-isoxazolylamino)phenyl]sulfonyl-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[4-(1,2-oxazol-3-ylamino)phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-1-[4-(isoxazol-3-ylamino)phenyl]sulfonyl-2-methyl-indol-3-yl]acetic acid Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O5S/c1-12-16(11-20(25)26)17-10-13(21)2-7-18(17)24(12)30(27,28)15-5-3-14(4-6-15)22-19-8-9-29-23-19/h2-10H,11H2,1H3,(H,22,23)(H,25,26)