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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)CC3=CC=CC=C3)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)CC3=CC=CC=C3)C=CC(=C2)F)CC(=O)O

InChI

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