methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-methylsulfonyl-benzoate CAS Name: 4-[4-(2-dimethylaminoethylthio)phenoxy]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-methylsulfonylbenzoate Traditional Name: 4-[4-(2-dimethylaminoethylthio)phenoxy]-3-mesyl-benzoic acid methyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H23NO5S2/c1-20(2)11-12-26-16-8-6-15(7-9-16)25-17-10-5-14(19(21)24-3)13-18(17)27(4,22)23/h5-10,13H,11-12H2,1-4H3