tert-butyl (2S)-2-[(2R)-5-ethoxysulfonyl-1-nitro-pentan-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2R)-5-ethoxysulfonyl-1-nitro-pentan-2-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1R)-4-ethoxysulfonyl-1-(nitromethyl)butyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2R)-5-ethoxysulfonyl-1-nitropentan-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2R)-5-ethoxysulfonyl-1-nitropentan-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R)-4-ethoxysulfonyl-1-(nitromethyl)butyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H30N2O7S MolecularWeight: 394.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)CCCC(C[N+](=O)[O-])C1CCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CCOS(=O)(=O)CCC[C@H](C[N+](=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C16H30N2O7S/c1-5-24-26(22,23)11-7-8-13(12-18(20)21)14-9-6-10-17(14)15(19)25-16(2,3)4/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1