4-[[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]methyl]benzenesulfonate

Systemtic Name: 4-[[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]methyl]benzenesulfonate Openeye Name: 4-[[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]methyl]benzenesulfonate CAS Name: 4-[[4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]methyl]benzenesulfonate IUPAC Name: 4-[[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]methyl]benzenesulfonate Traditional Name: 4-[[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]methyl]besylate Formula: C19H15Cl2N2O4S- MolecularWeight: 438.3044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)S(=O)(=O)[O-])C

InChI

InChI=1S/C19H16Cl2N2O4S/c1-11-18(19(24)15-8-5-13(20)10-16(15)21)17(23(2)22-11)9-12-3-6-14(7-4-12)28(25,26)27/h3-8,10H,9H2,1-2H3,(H,25,26,27)/p-1