3-[[4-[2-(2-methoxy-4-methyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(2-methoxy-4-methyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(2-methoxy-4-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(2-methoxy-4-methylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(2-methoxy-4-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

InChI

InChI=1S/C19H22N2O7S/c1-13-3-8-16(17(11-13)27-2)28-12-18(22)21-14-4-6-15(7-5-14)29(25,26)20-10-9-19(23)24/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)(H,23,24)