(2-methoxy-5-nitro-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O8S/c1-13(23)21-15-3-6-17(7-4-15)31(27,28)20-10-9-19(24)30-12-14-11-16(22(25)26)5-8-18(14)29-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,23)