N4,N4-diethyl-N1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[1-(tetrahydrofuran-2-ylmethyl)pyrazol-4-yl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[1-(2-oxolanylmethyl)-4-pyrazolyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[1-(tetrahydrofurfuryl)pyrazol-4-yl]benzene-1,4-disulfonamide Formula: C18H26N4O5S2 MolecularWeight: 442.55284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3CCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3CCCO3

InChI

InChI=1S/C18H26N4O5S2/c1-3-22(4-2)29(25,26)18-9-7-17(8-10-18)28(23,24)20-15-12-19-21(13-15)14-16-6-5-11-27-16/h7-10,12-13,16,20H,3-6,11,14H2,1-2H3