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

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-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] 4-methylsulfonylbenzoate Traditional Name: 4-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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