N1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C17H19N5O6S2 MolecularWeight: 453.49266

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NCCC2=CN3C=CC=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NCCC2=CN3C=CC=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O6S2/c1-20(2)30(27,28)14-6-7-16(15(11-14)22(23)24)29(25,26)18-9-8-13-12-21-10-4-3-5-17(21)19-13/h3-7,10-12,18H,8-9H2,1-2H3