N,N-diethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxidanylidene-pyridine-3-sulfonamide

Systemtic Name: N,N-diethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxidanylidene-pyridine-3-sulfonamide Openeye Name: N,N-diethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxo-pyridine-3-sulfonamide CAS Name: N,N-diethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxo-3-pyridinesulfonamide IUPAC Name: N,N-diethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxopyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-keto-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridine-3-sulfonamide Formula: C18H21N3O7S MolecularWeight: 423.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H21N3O7S/c1-3-20(4-2)29(25,26)16-5-6-17(22)19(10-16)9-13-7-15(21(23)24)8-14-11-27-12-28-18(13)14/h5-8,10H,3-4,9,11-12H2,1-2H3