2-[2-(3,4-dimethoxyphenyl)ethyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[homoveratryl(tosyl)amino]acetic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC(=O)O

InChI

InChI=1S/C19H23NO6S/c1-14-4-7-16(8-5-14)27(23,24)20(13-19(21)22)11-10-15-6-9-17(25-2)18(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)