4-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]butylazanium chloride

Systemtic Name: 4-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]butylazanium chloride Openeye Name: 4-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]butylammonium chloride CAS Name: 4-[3-methyl-5-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]-1-pyrazolyl]butylammonium chloride IUPAC Name: 4-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]butylazanium chloride Traditional Name: 4-[3-methyl-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]butylammonium chloride Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CCCC[NH3+].[Cl-]

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CCCC[NH3+].[Cl-]

InChI

InChI=1S/C21H25N5O3S.ClH/c1-15-14-19(26(25-15)13-5-4-12-22)21(27)24-17-10-8-16(9-11-17)18-6-2-3-7-20(18)30(23,28)29;/h2-3,6-11,14H,4-5,12-13,22H2,1H3,(H,24,27)(H2,23,28,29);1H