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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16N2O8S2 MolecularWeight: 476.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O8S2/c23-20(16-4-1-2-5-17(16)21-32(26,27)18-6-3-7-31-18)29-11-14-9-15(22(24)25)8-13-10-28-12-30-19(13)14/h1-9,21H,10-12H2