[4-[(2,5-dimethylpyrazol-3-yl)methyl]phenyl]sulfonyl 2,4-bis(chloranyl)benzoate

Systemtic Name: [4-[(2,5-dimethylpyrazol-3-yl)methyl]phenyl]sulfonyl 2,4-bis(chloranyl)benzoate Openeye Name: [4-[(2,5-dimethylpyrazol-3-yl)methyl]phenyl]sulfonyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [4-[(2,5-dimethyl-3-pyrazolyl)methyl]phenyl]sulfonyl ester IUPAC Name: [4-[(2,5-dimethylpyrazol-3-yl)methyl]phenyl]sulfonyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [4-[(2,5-dimethylpyrazol-3-yl)methyl]phenyl]sulfonyl ester Formula: C19H16Cl2N2O4S MolecularWeight: 439.31234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CC2=CC=C(C=C2)S(=O)(=O)OC(=O)C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=NN(C(=C1)CC2=CC=C(C=C2)S(=O)(=O)OC(=O)C3=C(C=C(C=C3)Cl)Cl)C

InChI

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