2-[3-[2-(acetamidomethyl)-4-methylsulfonyl-phenyl]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-(acetamidomethyl)-4-methylsulfonyl-phenyl]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-(acetamidomethyl)-4-methylsulfonyl-phenyl]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[2-(acetamidomethyl)-4-methylsulfonylphenyl]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-(acetamidomethyl)-4-methylsulfonylphenyl]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[2-(acetamidomethyl)-4-mesyl-phenyl]-4-methoxy-phenyl]acetic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C=CC(=C1)S(=O)(=O)C)C2=C(C=CC(=C2)CC(=O)O)OC

Isomeric SMILES

CC(=O)NCC1=C(C=CC(=C1)S(=O)(=O)C)C2=C(C=CC(=C2)CC(=O)O)OC

InChI

InChI=1S/C19H21NO6S/c1-12(21)20-11-14-10-15(27(3,24)25)5-6-16(14)17-8-13(9-19(22)23)4-7-18(17)26-2/h4-8,10H,9,11H2,1-3H3,(H,20,21)(H,22,23)