N3-methyl-N3-[(1-phenylpyrazol-4-yl)methyl]benzene-1,3-disulfonamide

Systemtic Name: N3-methyl-N3-[(1-phenylpyrazol-4-yl)methyl]benzene-1,3-disulfonamide Openeye Name: N3-methyl-N3-[(1-phenylpyrazol-4-yl)methyl]benzene-1,3-disulfonamide CAS Name: N3-methyl-N3-[(1-phenyl-4-pyrazolyl)methyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-methyl-3-N-[(1-phenylpyrazol-4-yl)methyl]benzene-1,3-disulfonamide Traditional Name: N'-methyl-N'-[(1-phenylpyrazol-4-yl)methyl]benzene-1,3-disulfonamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O4S2/c1-20(12-14-11-19-21(13-14)15-6-3-2-4-7-15)27(24,25)17-9-5-8-16(10-17)26(18,22)23/h2-11,13H,12H2,1H3,(H2,18,22,23)