3-(4-ethoxy-3-methoxy-phenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-(tosylamino)propionic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C19H23NO6S/c1-4-26-17-10-7-14(11-18(17)25-3)16(12-19(21)22)20-27(23,24)15-8-5-13(2)6-9-15/h5-11,16,20H,4,12H2,1-3H3,(H,21,22)