(4-propan-2-ylsulfonylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-propan-2-ylsulfonylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (4-isopropylsulfonylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-propan-2-ylsulfonylphenyl)methyl ester IUPAC Name: (4-propan-2-ylsulfonylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (4-isopropylsulfonylbenzyl) ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-19(2)33(30,31)23-15-13-20(14-16-23)18-32-26(29)24-17-28(22-11-7-4-8-12-22)27-25(24)21-9-5-3-6-10-21/h3-17,19H,18H2,1-2H3