[(1R)-1-(3-nitrophenyl)ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H17ClN2O6S/c1-12(13-5-3-8-16(9-13)20(22)23)26-17(21)11-19(27(2,24)25)15-7-4-6-14(18)10-15/h3-10,12H,11H2,1-2H3/t12-/m1/s1