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

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]acetate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]acetate Traditional Name: 2-(p-phenetylsulfonylamino)acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-3-26-16-7-9-17(10-8-16)28(24,25)19-12-18(21)27-13(2)14-5-4-6-15(11-14)20(22)23/h4-11,13,19H,3,12H2,1-2H3/t13-/m1/s1