[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2R)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2R)-2-nosylpropionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCCCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7S/c1-14(28(25,26)16-9-7-15(8-10-16)20(23)24)18(22)27-13-17(21)19-11-5-3-2-4-6-12-19/h7-10,14H,2-6,11-13H2,1H3/t14-/m1/s1