2-(butylsulfonylamino)-3-[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanoate

Systemtic Name: 2-(butylsulfonylamino)-3-[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanoate Openeye Name: 2-(butylsulfonylamino)-3-[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanoate CAS Name: 2-(butylsulfonylamino)-3-[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanoate IUPAC Name: 2-(butylsulfonylamino)-3-[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanoate Traditional Name: 2-(butylsulfonylamino)-3-(3-methylol-2,3-dihydro-1,4-benzodioxin-6-yl)propionate Formula: C16H22NO7S- MolecularWeight: 372.41338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OCC(O2)CO)C(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OCC(O2)CO)C(=O)[O-]

InChI

InChI=1S/C16H23NO7S/c1-2-3-6-25(21,22)17-13(16(19)20)7-11-4-5-14-15(8-11)24-12(9-18)10-23-14/h4-5,8,12-13,17-18H,2-3,6-7,9-10H2,1H3,(H,19,20)/p-1