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

Systemtic Name: [2-chloranyl-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azanide Openeye Name: [2-chloro-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azanide CAS Name: [2-chloro-5-[oxo-(3-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)azanide IUPAC Name: [2-chloro-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azanide Traditional Name: [2-chloro-5-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azanide Formula: C24H22ClN5O4S MolecularWeight: 511.98058

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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=C(C=CC(=C3)C(=O)NCC4=C[NH+]=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN5O4S/c1-16-22(24(32)30(29(16)2)19-8-4-3-5-9-19)28-35(33,34)21-13-18(10-11-20(21)25)23(31)27-15-17-7-6-12-26-14-17/h3-14H,15H2,1-2H3,(H,27,31)/q-1/p+1