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

Systemtic Name: methyl 4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzoate CAS Name: 4-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonylbenzoate Traditional Name: 4-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-mesyl-benzoic acid methyl ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CN(C)CCSCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H25NO5S2/c1-21(2)11-12-27-14-15-5-8-17(9-6-15)26-18-10-7-16(20(22)25-3)13-19(18)28(4,23)24/h5-10,13H,11-12,14H2,1-4H3