ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-fluorophenyl)methyl]amino]propanoate

Systemtic Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-fluorophenyl)methyl]amino]propanoate Openeye Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-fluorophenyl)methyl]amino]propanoate CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-fluorophenyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(2-fluorophenyl)methyl]amino]propanoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(2-fluorobenzyl)amino]propionic acid ethyl ester Formula: C20H22FNO6S MolecularWeight: 423.455183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22FNO6S/c1-2-26-20(23)9-10-22(14-15-5-3-4-6-17(15)21)29(24,25)16-7-8-18-19(13-16)28-12-11-27-18/h3-8,13H,2,9-12,14H2,1H3