(4-nitrophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: (4-nitrophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid (4-nitrobenzyl) ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-13-3-8-17(11-14(13)2)27(24,25)19-10-9-18(21)26-12-15-4-6-16(7-5-15)20(22)23/h3-8,11,19H,9-10,12H2,1-2H3