2-phenoxyethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: 2-phenoxyethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: 2-phenoxyethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid 2-phenoxyethyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25NO7S/c1-15(2)20(21(23)29-13-10-26-16-6-4-3-5-7-16)22-30(24,25)17-8-9-18-19(14-17)28-12-11-27-18/h3-9,14-15,20,22H,10-13H2,1-2H3/t20-/m0/s1