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

Systemtic Name: 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[methyl(tosyl)amino]acetyl]amino]terephthalic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18N2O7S/c1-11-3-6-13(7-4-11)28(26,27)20(2)10-16(21)19-15-9-12(17(22)23)5-8-14(15)18(24)25/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)