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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[4-methyl-3-[oxo-(2-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[4-methyl-3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[4-methyl-3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Formula: C25H25N5O4S MolecularWeight: 491.5621

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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)NCC4=CC=CC=[NH+]4

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)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C25H24N5O4S/c1-17-12-13-21(15-22(17)24(31)27-16-19-9-7-8-14-26-19)35(33,34)28-23-18(2)29(3)30(25(23)32)20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,27,31)/q-1/p+1