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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)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-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic 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)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8S/c1-13-2-4-17(5-3-13)30(25,26)20-7-6-18(22)28-11-15-9-16(21(23)24)8-14-10-27-12-29-19(14)15/h2-5,8-9,20H,6-7,10-12H2,1H3