N3-[2-(pyrazol-1-ylmethyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[2-(pyrazol-1-ylmethyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[2-(pyrazol-1-ylmethyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[2-(1-pyrazolylmethyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[2-(pyrazol-1-ylmethyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[2-(pyrazol-1-ylmethyl)phenyl]benzene-1,3-disulfonamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC=N2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC=N2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

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