2-[(3R)-6-azanyl-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzodioxin-5-yl]ethanoic acid

Systemtic Name: 2-[(3R)-6-azanyl-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzodioxin-5-yl]ethanoic acid Openeye Name: 2-[(3R)-6-amino-3-(p-tolylsulfonyloxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid CAS Name: 2-[(3R)-6-amino-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid IUPAC Name: 2-[(3R)-6-amino-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid Traditional Name: 2-[(3R)-6-amino-3-(tosyloxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)N)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2COC3=C(O2)C(=C(C=C3)N)CC(=O)O

InChI

InChI=1S/C18H19NO7S/c1-11-2-4-13(5-3-11)27(22,23)25-10-12-9-24-16-7-6-15(19)14(8-17(20)21)18(16)26-12/h2-7,12H,8-10,19H2,1H3,(H,20,21)/t12-/m1/s1