3,3-dimethyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)butan-2-one Openeye Name: 3,3-dimethyl-1-(4-morpholinosulfonyl-2-nitro-phenoxy)butan-2-one CAS Name: 3,3-dimethyl-1-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)butan-2-one Traditional Name: 3,3-dimethyl-1-(4-morpholinosulfonyl-2-nitro-phenoxy)butan-2-one Formula: C16H22N2O7S MolecularWeight: 386.42008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7S/c1-16(2,3)15(19)11-25-14-5-4-12(10-13(14)18(20)21)26(22,23)17-6-8-24-9-7-17/h4-5,10H,6-9,11H2,1-3H3