[(1R)-1-phenylethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [(1R)-1-phenylethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [(1R)-1-phenylethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [(1R)-1-phenylethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-12(13-6-4-3-5-7-13)26-17(21)11-19-27(24,25)14-8-9-15(18-2)16(10-14)20(22)23/h3-10,12,18-19H,11H2,1-2H3/t12-/m1/s1