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

Systemtic Name: 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O7S/c1-13-10-16(14(2)20(13)3)18(23)12-29-19-5-4-15(11-17(19)22(24)25)30(26,27)21-6-8-28-9-7-21/h4-5,10-11H,6-9,12H2,1-3H3