(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)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-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H20N2O8S/c1-13-3-5-17(6-4-13)30(25,26)20(2)9-18(22)28-11-15-8-16(21(23)24)7-14-10-27-12-29-19(14)15/h3-8H,9-12H2,1-2H3