3-[4-[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(5-chloro-2-methoxy-phenyl)methyl-methyl-sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(5-chloro-2-methoxy-benzyl)-methyl-sulfamoyl]phenyl]propionic acid Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Cl)OC)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H20ClNO5S/c1-20(12-14-11-15(19)6-9-17(14)25-2)26(23,24)16-7-3-13(4-8-16)5-10-18(21)22/h3-4,6-9,11H,5,10,12H2,1-2H3,(H,21,22)