(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O8S/c24-20(10-22-32(27,28)19-6-5-14-3-1-2-4-15(14)9-19)30-12-17-8-18(23(25)26)7-16-11-29-13-31-21(16)17/h1-9,22H,10-13H2