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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H21N3O9S/c1-13(24)22-16-2-4-18(5-3-16)33(28,29)21-7-6-19(25)31-11-15-9-17(23(26)27)8-14-10-30-12-32-20(14)15/h2-5,8-9,21H,6-7,10-12H2,1H3,(H,22,24)