methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]oxybenzoate

Systemtic Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]oxybenzoate Openeye Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]oxybenzoate CAS Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]oxybenzoate Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]oxybenzoic acid methyl ester Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO8S/c1-13(2)19(21(24)30-15-6-4-14(5-7-15)20(23)27-3)22-31(25,26)16-8-9-17-18(12-16)29-11-10-28-17/h4-9,12-13,19,22H,10-11H2,1-3H3/t19-/m0/s1