[(1R)-1-(3-nitrophenyl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-13-6-8-17(9-7-13)27(24,25)19-11-10-18(21)26-14(2)15-4-3-5-16(12-15)20(22)23/h3-9,12,14,19H,10-11H2,1-2H3/t14-/m1/s1