N3-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-disulfonamide Openeye Name: N3-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-disulfonamide CAS Name: N3-[2-(1-methyl-4-pyrazolyl)ethyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-disulfonamide Traditional Name: N'-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-disulfonamide Formula: C12H16N4O4S2 MolecularWeight: 344.40984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

Isomeric SMILES

CN1C=C(C=N1)CCNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C12H16N4O4S2/c1-16-9-10(8-14-16)5-6-15-22(19,20)12-4-2-3-11(7-12)21(13,17)18/h2-4,7-9,15H,5-6H2,1H3,(H2,13,17,18)