1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(2,5-dimethyl-3-thienyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-3-thienyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S2/c1-12-9-15(13(2)28-12)17(21)11-27-18-4-3-14(10-16(18)20(22)23)29(24,25)19-5-7-26-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3