(4-nitrophenyl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-nitrophenyl) 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (4-nitrophenyl) ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-12(2)17(19-27(24,25)16-10-4-13(3)5-11-16)18(21)26-15-8-6-14(7-9-15)20(22)23/h4-12,17,19H,1-3H3