5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-2-methyl-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC4CC[NH+](CC4)C

InChI

InChI=1S/C25H31N5O4S/c1-17-10-11-21(16-22(17)24(31)26-19-12-14-28(3)15-13-19)35(33,34)27-23-18(2)29(4)30(25(23)32)20-8-6-5-7-9-20/h5-11,16,19,27H,12-15H2,1-4H3,(H,26,31)/p+1