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

Systemtic Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1-indolyl)propylamino]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenoxy]propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)NCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)NCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H26N2O6S/c1-22(2,21(25)26)29-18-7-5-17(6-8-18)23-12-4-13-24-14-11-16-15-19(9-10-20(16)24)30-31(3,27)28/h5-11,14-15,23H,4,12-13H2,1-3H3,(H,25,26)