tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate; oxiran-2-ylmethyl 3-nitrobenzenesulfonate

Systemtic Name: tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate; oxiran-2-ylmethyl 3-nitrobenzenesulfonate Openeye Name: tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate; oxiran-2-ylmethyl 3-nitrobenzenesulfonate CAS Name: (3S)-3-[(tert-butylamino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester; 3-nitrobenzenesulfonic acid 2-oxiranylmethyl ester IUPAC Name: tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate; oxiran-2-ylmethyl 3-nitrobenzenesulfonate Traditional Name: (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester; 3-nitrobenzenesulfonic acid glycidyl ester Formula: C23H36N4O9S MolecularWeight: 544.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1)C(=O)OC(C)(C)C.C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1)C(=O)OC(C)(C)C.C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H27N3O3.C9H9NO6S/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6;11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h10,15H,7-9H2,1-6H3,(H,16,18);1-4,8H,5-6H2/t10-;/m0./s1