2-methyl-2-[3-[4-(5-methylsulfonyloxyindol-1-yl)butyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-[4-(5-methylsulfonyloxyindol-1-yl)butyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[3-[4-(5-methylsulfonyloxyindol-1-yl)butyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[3-[4-(5-methylsulfonyloxy-1-indolyl)butyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[4-(5-methylsulfonyloxyindol-1-yl)butyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[3-[4-(5-methylsulfonyloxyindol-1-yl)butyl]phenoxy]propionic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H27NO6S/c1-23(2,22(25)26)29-19-9-6-8-17(15-19)7-4-5-13-24-14-12-18-16-20(10-11-21(18)24)30-31(3,27)28/h6,8-12,14-16H,4-5,7,13H2,1-3H3,(H,25,26)