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

Systemtic Name: (4-nitrophenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (4-nitrophenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (4-nitrobenzyl) ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-13(22)20-15-4-8-17(9-5-15)29(26,27)19-11-10-18(23)28-12-14-2-6-16(7-3-14)21(24)25/h2-9,19H,10-12H2,1H3,(H,20,22)