ethyl 4-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N3O9S MolecularWeight: 443.42834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O9S/c1-3-28-17(23)19-8-6-18(7-9-19)15(21)11-29-16(22)12-4-5-14(30(2,26)27)13(10-12)20(24)25/h4-5,10H,3,6-9,11H2,1-2H3