2-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N5O4S+ MolecularWeight: 458.55382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C22H27N5O4S/c1-16-20(22(29)27(26(16)4)18-10-6-5-7-11-18)24-32(30,31)19-12-8-9-17(15-19)21(28)23-13-14-25(2)3/h5-12,15,24H,13-14H2,1-4H3,(H,23,28)/p+1