[(1R)-1-(2-chlorophenyl)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [(1R)-1-(2-chlorophenyl)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-1-(2-chlorophenyl)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [(1R)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [(1R)-1-(2-chlorophenyl)ethyl] ester Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O6S2/c1-11(13-5-3-4-6-14(13)18)26-17(21)10-19-28(24,25)12-7-8-16(27-2)15(9-12)20(22)23/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1