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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C19H18N2O9S MolecularWeight: 450.41922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O9S/c22-16(13-1-3-18-19(9-13)30-12-29-18)11-28-17-4-2-14(10-15(17)21(23)24)31(25,26)20-5-7-27-8-6-20/h1-4,9-10H,5-8,11-12H2