N3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N3-methyl-benzene-1,3-disulfonamide

Systemtic Name: N3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N3-methyl-benzene-1,3-disulfonamide Openeye Name: N3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N3-methyl-benzene-1,3-disulfonamide CAS Name: N3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N3-methylbenzene-1,3-disulfonamide IUPAC Name: 3-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-N-methylbenzene-1,3-disulfonamide Traditional Name: N'-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N'-methyl-benzene-1,3-disulfonamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C19H22N4O4S2/c1-14-19(15(2)23(21-14)16-8-5-4-6-9-16)13-22(3)29(26,27)18-11-7-10-17(12-18)28(20,24)25/h4-12H,13H2,1-3H3,(H2,20,24,25)