1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7S/c1-3-16-5-6-17(4-2)19(13-16)21(25)15-31-22-8-7-18(14-20(22)24(26)27)32(28,29)23-9-11-30-12-10-23/h5-8,13-14H,3-4,9-12,15H2,1-2H3