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

Systemtic Name: 3-[(2,3-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[2,3-dimethoxy-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-(2,3-dimethoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid IUPAC Name: 3-(2,3-dimethoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid Traditional Name: 3-(2,3-dimethoxy-N-tosyl-anilino)propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-13-7-9-14(10-8-13)26(22,23)19(12-11-17(20)21)15-5-4-6-16(24-2)18(15)25-3/h4-10H,11-12H2,1-3H3,(H,20,21)