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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic 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]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19N3O9S MolecularWeight: 465.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O9S/c1-12(23)21-15-2-4-17(5-3-15)32(27,28)20-8-18(24)30-10-14-7-16(22(25)26)6-13-9-29-11-31-19(13)14/h2-7,20H,8-11H2,1H3,(H,21,23)