[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2R)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2R)-2-nosylpropionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-13(28(25,26)16-9-7-15(8-10-16)20(23)24)18(22)27-12-17(21)19-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,19,21)/t13-/m1/s1