1-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)-2-(2-nitrophenoxy)ethanone Openeye Name: 1-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)-2-(2-nitrophenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-2-(2-nitrophenoxy)ethanone Traditional Name: 1-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)-2-(2-nitrophenoxy)ethanone Formula: C17H20N4O7S MolecularWeight: 424.4283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2[N+](=O)[O-])C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2[N+](=O)[O-])C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H20N4O7S/c1-12-17(29(25,26)19-7-9-27-10-8-19)13(2)20(18-12)16(22)11-28-15-6-4-3-5-14(15)21(23)24/h3-6H,7-11H2,1-2H3