(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O9S/c1-12(22-33(28,29)18-5-3-16(4-6-18)21-13(2)24)20(25)31-10-15-8-17(23(26)27)7-14-9-30-11-32-19(14)15/h3-8,12,22H,9-11H2,1-2H3,(H,21,24)