(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanoate IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butyrate Formula: C14H18NO6S- MolecularWeight: 328.36082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H19NO6S/c1-9(2)13(14(16)17)15-22(18,19)10-4-5-11-12(8-10)21-7-3-6-20-11/h4-5,8-9,13,15H,3,6-7H2,1-2H3,(H,16,17)/p-1/t13-/m1/s1