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

Systemtic Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoate Openeye Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonylbenzoate IUPAC Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-5-mesyl-2-methyl-benzoate Formula: C19H22NO5S- MolecularWeight: 376.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)C)OC2=CC=C(C=C2)CCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)C)OC2=CC=C(C=C2)CCN(C)C

InChI

InChI=1S/C19H23NO5S/c1-13-11-17(18(26(4,23)24)12-16(13)19(21)22)25-15-7-5-14(6-8-15)9-10-20(2)3/h5-8,11-12H,9-10H2,1-4H3,(H,21,22)/p-1