ethyl 4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonyl-3-nitroanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-3-nitro-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O7S/c1-3-27-16(22)18-9-7-17(8-10-18)15(21)12-19(28(2,25)26)13-5-4-6-14(11-13)20(23)24/h4-6,11H,3,7-10,12H2,1-2H3