2-[[4-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-12-3-4-13(2)16(9-12)26-11-17(21)20-14-5-7-15(8-6-14)27(24,25)19-10-18(22)23/h3-9,19H,10-11H2,1-2H3,(H,20,21)(H,22,23)