(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[4-methyl-3-[oxo-(3-pyridin-1-iumylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[4-methyl-3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide Formula: C24H23N5O4S MolecularWeight: 477.53552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC4=C[NH+]=CC=C4

InChI

InChI=1S/C24H22N5O4S/c1-16-11-12-20(14-21(16)23(30)26-18-8-7-13-25-15-18)34(32,33)27-22-17(2)28(3)29(24(22)31)19-9-5-4-6-10-19/h4-15H,1-3H3,(H,26,30)/q-1/p+1