2-methyl-N-[(2R,3S)-1-nitro-4-oxidanyl-3-pentan-3-yloxy-butan-2-yl]propane-2-sulfinamide

Systemtic Name: 2-methyl-N-[(2R,3S)-1-nitro-4-oxidanyl-3-pentan-3-yloxy-butan-2-yl]propane-2-sulfinamide Openeye Name: N-[(1R,2S)-2-(1-ethylpropoxy)-3-hydroxy-1-(nitromethyl)propyl]-2-methyl-propane-2-sulfinamide CAS Name: N-[(2R,3S)-4-hydroxy-1-nitro-3-pentan-3-yloxybutan-2-yl]-2-methyl-2-propanesulfinamide IUPAC Name: N-[(2R,3S)-4-hydroxy-1-nitro-3-pentan-3-yloxybutan-2-yl]-2-methylpropane-2-sulfinamide Traditional Name: N-[(1R,2S)-2-(1-ethylpropoxy)-3-hydroxy-1-(nitromethyl)propyl]-2-methyl-propane-2-sulfinamide Formula: C13H28N2O5S MolecularWeight: 324.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(CO)C(C[N+](=O)[O-])NS(=O)C(C)(C)C

Isomeric SMILES

CCC(CC)O[C@H](CO)[C@@H](C[N+](=O)[O-])N[S@@](=O)C(C)(C)C

InChI

InChI=1S/C13H28N2O5S/c1-6-10(7-2)20-12(9-16)11(8-15(17)18)14-21(19)13(3,4)5/h10-12,14,16H,6-9H2,1-5H3/t11-,12-,21+/m1/s1