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

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-12-7-8-17(9-13(12)2)27(24,25)19-11-18(21)26-14(3)15-5-4-6-16(10-15)20(22)23/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1