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

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-(phenylmethyl)sulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-(3-benzylsulfonyl-5-fluoro-2-methyl-indol-1-yl)acetic acid CAS Name: 2-[5-fluoro-2-methyl-3-(phenylmethyl)sulfonyl-1-indolyl]acetic acid IUPAC Name: 2-(3-benzylsulfonyl-5-fluoro-2-methylindol-1-yl)acetic acid Traditional Name: 2-(3-benzylsulfonyl-5-fluoro-2-methyl-indol-1-yl)acetic acid Formula: C18H16FNO4S MolecularWeight: 361.387343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H16FNO4S/c1-12-18(25(23,24)11-13-5-3-2-4-6-13)15-9-14(19)7-8-16(15)20(12)10-17(21)22/h2-9H,10-11H2,1H3,(H,21,22)