(2S)-2-methyl-2-[3-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoic acid

Systemtic Name: (2S)-2-methyl-2-[3-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoic acid Openeye Name: (2S)-2-methyl-2-[3-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoic acid CAS Name: (2S)-2-methyl-2-[3-[3-(5-methylsulfonyloxy-1-indolyl)propyl]phenoxy]butanoic acid IUPAC Name: (2S)-2-methyl-2-[3-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoic acid Traditional Name: (2S)-2-methyl-2-[3-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butyric acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)OC1=CC=CC(=C1)CCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

Isomeric SMILES

CC[C@@](C)(C(=O)O)OC1=CC=CC(=C1)CCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H27NO6S/c1-4-23(2,22(25)26)29-19-9-5-7-17(15-19)8-6-13-24-14-12-18-16-20(10-11-21(18)24)30-31(3,27)28/h5,7,9-12,14-16H,4,6,8,13H2,1-3H3,(H,25,26)/t23-/m0/s1