(3-nitrophenyl)methyl 3-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: (3-nitrophenyl)methyl 3-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: (3-nitrophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetylphenyl)sulfonylamino]propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]propionic acid (3-nitrobenzyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-13(21)15-5-7-17(8-6-15)28(25,26)19-10-9-18(22)27-12-14-3-2-4-16(11-14)20(23)24/h2-8,11,19H,9-10,12H2,1H3