methyl 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)OC2=CC=C(C=C2)CCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)OC2=CC=C(C=C2)CCN(C)C

InChI

InChI=1S/C20H25NO5S/c1-14-12-18(19(27(5,23)24)13-17(14)20(22)25-4)26-16-8-6-15(7-9-16)10-11-21(2)3/h6-9,12-13H,10-11H2,1-5H3