3-phenylmethoxypropyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 3-phenylmethoxypropyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: 3-benzyloxypropyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarboxylic acid 3-phenylmethoxypropyl ester IUPAC Name: 3-phenylmethoxypropyl 5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-phenyl-pyrazole-3-carboxylic acid 3-benzoxypropyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)OCCCOCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)OCCCOCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5S/c1-35(31,32)24-15-13-22(14-16-24)26-19-25(28-29(26)23-11-6-3-7-12-23)27(30)34-18-8-17-33-20-21-9-4-2-5-10-21/h2-7,9-16,19H,8,17-18,20H2,1H3