3-[[4-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C21H25ClN2O6S MolecularWeight: 468.951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H25ClN2O6S/c1-13(2)17-11-18(22)14(3)10-19(17)30-12-20(25)24-15-4-6-16(7-5-15)31(28,29)23-9-8-21(26)27/h4-7,10-11,13,23H,8-9,12H2,1-3H3,(H,24,25)(H,26,27)