(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O8S/c1-13(2)18(21-31(26,27)17-6-4-3-5-7-17)20(23)29-11-15-9-16(22(24)25)8-14-10-28-12-30-19(14)15/h3-9,13,18,21H,10-12H2,1-2H3