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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N-]S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=[NH+]C=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N-]S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=[NH+]C=C4

InChI

InChI=1S/C24H22N5O4S/c1-17-22(24(31)29(28(17)2)20-8-4-3-5-9-20)27-34(32,33)21-10-6-7-19(15-21)23(30)26-16-18-11-13-25-14-12-18/h3-15H,16H2,1-2H3,(H,26,30)/q-1/p+1