ethyl 4-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24N4O8S MolecularWeight: 444.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O8S/c1-4-29-17(23)19-9-7-18(8-10-19)16(22)12-20(30(3,26)27)14-11-13(21(24)25)5-6-15(14)28-2/h5-6,11H,4,7-10,12H2,1-3H3