methyl 2-[2-(2-azanylethyl)-5-(2-methylsulfonylphenyl)phenoxy]ethanoate hydrochloride

Systemtic Name: methyl 2-[2-(2-azanylethyl)-5-(2-methylsulfonylphenyl)phenoxy]ethanoate hydrochloride Openeye Name: methyl 2-[2-(2-aminoethyl)-5-(2-methylsulfonylphenyl)phenoxy]acetate hydrochloride CAS Name: 2-[2-(2-aminoethyl)-5-(2-methylsulfonylphenyl)phenoxy]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-(2-aminoethyl)-5-(2-methylsulfonylphenyl)phenoxy]acetate hydrochloride Traditional Name: 2-[2-(2-aminoethyl)-5-(2-mesylphenyl)phenoxy]acetic acid methyl ester hydrochloride Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)CCN.Cl

Isomeric SMILES

COC(=O)COC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)CCN.Cl

InChI

InChI=1S/C18H21NO5S.ClH/c1-23-18(20)12-24-16-11-14(8-7-13(16)9-10-19)15-5-3-4-6-17(15)25(2,21)22;/h3-8,11H,9-10,12,19H2,1-2H3;1H