2-methyl-2-[3-[3-[5-(4-methylphenyl)sulfonyloxyindol-1-yl]propyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-[3-[5-(4-methylphenyl)sulfonyloxyindol-1-yl]propyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[3-[3-[5-(p-tolylsulfonyloxy)indol-1-yl]propyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[3-[3-[5-(4-methylphenyl)sulfonyloxy-1-indolyl]propyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[3-[5-(4-methylphenyl)sulfonyloxyindol-1-yl]propyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[3-[3-(5-tosyloxyindol-1-yl)propyl]phenoxy]propionic acid Formula: C28H29NO6S MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N(C=C3)CCCC4=CC(=CC=C4)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N(C=C3)CCCC4=CC(=CC=C4)OC(C)(C)C(=O)O

InChI

InChI=1S/C28H29NO6S/c1-20-9-12-25(13-10-20)36(32,33)35-24-11-14-26-22(19-24)15-17-29(26)16-5-7-21-6-4-8-23(18-21)34-28(2,3)27(30)31/h4,6,8-15,17-19H,5,7,16H2,1-3H3,(H,30,31)