N4,N4-diethyl-N1-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[(1-phenyl-4-pyrazolyl)methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S2/c1-3-23(4-2)30(27,28)20-12-10-19(11-13-20)29(25,26)22-15-17-14-21-24(16-17)18-8-6-5-7-9-18/h5-14,16,22H,3-4,15H2,1-2H3