2-[1-[[4-(azetidin-1-ylsulfonyl)phenyl]methyl]-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[4-(azetidin-1-ylsulfonyl)phenyl]methyl]-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-(azetidin-1-ylsulfonyl)phenyl]methyl]-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[[4-(1-azetidinylsulfonyl)phenyl]methyl]-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[[4-(azetidin-1-ylsulfonyl)phenyl]methyl]-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[4-(azetidin-1-ylsulfonyl)benzyl]-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCC4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCC4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C21H21FN2O4S/c1-14-18(12-21(25)26)19-11-16(22)5-8-20(19)24(14)13-15-3-6-17(7-4-15)29(27,28)23-9-2-10-23/h3-8,11H,2,9-10,12-13H2,1H3,(H,25,26)