3-[4-[(2-methylsulfonylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methylsulfonylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid Openeye Name: 3-[4-[(2-methylsulfonylphenoxy)methyl]-2-(1-naphthylmethylcarbamoyl)phenyl]propanoic acid CAS Name: 3-[4-[(2-methylsulfonylphenoxy)methyl]-2-[(1-naphthalenylmethylamino)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methylsulfonylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid Traditional Name: 3-[4-[(2-mesylphenoxy)methyl]-2-(1-naphthylmethylcarbamoyl)phenyl]propionic acid Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H27NO6S/c1-37(34,35)27-12-5-4-11-26(27)36-19-20-13-14-22(15-16-28(31)32)25(17-20)29(33)30-18-23-9-6-8-21-7-2-3-10-24(21)23/h2-14,17H,15-16,18-19H2,1H3,(H,30,33)(H,31,32)