ethyl 4-[(2-nitrophenyl)methylsulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-nitrophenyl)methylsulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-nitrophenyl)methylsulfonyl]piperazine-1-carboxylate CAS Name: 4-[(2-nitrophenyl)methylsulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-nitrophenyl)methylsulfonyl]piperazine-1-carboxylate Traditional Name: 4-(2-nitrobenzyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-2-23-14(18)15-7-9-16(10-8-15)24(21,22)11-12-5-3-4-6-13(12)17(19)20/h3-6H,2,7-11H2,1H3