2-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoylamino]propanoic acid

Systemtic Name: 2-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetyl]amino]propanoic acid CAS Name: 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[4-[methyl(tosyl)amino]phenoxy]acetyl]amino]propionic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC(C)C(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-13-4-10-17(11-5-13)28(25,26)21(3)15-6-8-16(9-7-15)27-12-18(22)20-14(2)19(23)24/h4-11,14H,12H2,1-3H3,(H,20,22)(H,23,24)