azane; 2-chloranyl-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid

Systemtic Name: azane; 2-chloranyl-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid Openeye Name: ammonia; 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid CAS Name: ammonia; 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid IUPAC Name: azane; 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid Traditional Name: ammonia; 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propionic acid Formula: C18H22ClNO6S MolecularWeight: 415.88838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)OCCC2=CC=C(C=C2)CC(C(=O)O)Cl.N

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)OCCC2=CC=C(C=C2)CC(C(=O)O)Cl.N

InChI

InChI=1S/C18H19ClO6S.H3N/c1-26(22,23)25-16-8-6-15(7-9-16)24-11-10-13-2-4-14(5-3-13)12-17(19)18(20)21;/h2-9,17H,10-12H2,1H3,(H,20,21);1H3