[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H21NO7S/c1-21(12-14-7-8-16-17(11-14)27-10-9-26-16)19(22)13-28-20(23)15-5-3-4-6-18(15)29(2,24)25/h3-8,11H,9-10,12-13H2,1-2H3