[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H25NO6S/c1-15(20(23)22-12-11-16-7-9-19(27-2)10-8-16)28-21(24)18-6-4-5-17(13-18)14-29(3,25)26/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,23)