methyl (2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-pentanoate CAS Name: (2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylpentanoate Traditional Name: (2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-valeric acid methyl ester Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H21NO6S/c1-4-10(2)14(15(17)20-3)16-23(18,19)11-5-6-12-13(9-11)22-8-7-21-12/h5-6,9-10,14,16H,4,7-8H2,1-3H3/t10-,14+/m0/s1