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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O8S/c25-21(31-13-18-10-19(24(26)27)9-17-12-30-14-32-22(17)18)7-8-23-33(28,29)20-6-5-15-3-1-2-4-16(15)11-20/h1-6,9-11,23H,7-8,12-14H2