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

Systemtic Name: 3-[[4-[2-(2-chloranyl-5-methyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(2-chloro-5-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(2-chloro-5-methylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(2-chloro-5-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O6S/c1-12-2-7-15(19)16(10-12)27-11-17(22)21-13-3-5-14(6-4-13)28(25,26)20-9-8-18(23)24/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)(H,23,24)