methyl 3-chloranyl-4-[4-(2-dimethylaminoethyl)phenoxy]-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3-chloranyl-4-[4-(2-dimethylaminoethyl)phenoxy]-5-methylsulfonyl-benzoate Openeye Name: methyl 3-chloro-4-[4-(2-dimethylaminoethyl)phenoxy]-5-methylsulfonyl-benzoate CAS Name: 3-chloro-4-[4-(2-dimethylaminoethyl)phenoxy]-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-[4-(2-dimethylaminoethyl)phenoxy]-5-methylsulfonylbenzoate Traditional Name: 3-chloro-4-[4-(2-dimethylaminoethyl)phenoxy]-5-mesyl-benzoic acid methyl ester Formula: C19H22ClNO5S MolecularWeight: 411.89968

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2Cl)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2Cl)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H22ClNO5S/c1-21(2)10-9-13-5-7-15(8-6-13)26-18-16(20)11-14(19(22)25-3)12-17(18)27(4,23)24/h5-8,11-12H,9-10H2,1-4H3