N-[4-cyano-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrazol-3-yl]ethanamide

Systemtic Name: N-[4-cyano-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrazol-3-yl]ethanamide Openeye Name: N-[4-cyano-2-(4-morpholinosulfonyl-2-nitro-phenyl)pyrazol-3-yl]acetamide CAS Name: N-[4-cyano-2-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-3-pyrazolyl]acetamide IUPAC Name: N-[4-cyano-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrazol-3-yl]acetamide Traditional Name: N-[4-cyano-2-(4-morpholinosulfonyl-2-nitro-phenyl)pyrazol-3-yl]acetamide Formula: C16H16N6O6S MolecularWeight: 420.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=NN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)NC1=C(C=NN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H16N6O6S/c1-11(23)19-16-12(9-17)10-18-21(16)14-3-2-13(8-15(14)22(24)25)29(26,27)20-4-6-28-7-5-20/h2-3,8,10H,4-7H2,1H3,(H,19,23)