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

Systemtic Name: N4-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide Openeye Name: N4-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide CAS Name: N4-[(1-phenyl-4-pyrazolyl)methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide Traditional Name: N'-[(1-phenylpyrazol-4-yl)methyl]benzene-1,4-disulfonamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N4O4S2/c17-25(21,22)15-6-8-16(9-7-15)26(23,24)19-11-13-10-18-20(12-13)14-4-2-1-3-5-14/h1-10,12,19H,11H2,(H2,17,21,22)