[(1R)-1-(3-nitrophenyl)ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-13-7-8-18(14(2)11-13)28(25,26)20-10-9-19(22)27-15(3)16-5-4-6-17(12-16)21(23)24/h4-8,11-12,15,20H,9-10H2,1-3H3/t15-/m1/s1