(4-pyrazol-1-ylphenyl)methyl 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

InChI

InChI=1S/C20H17N3O4S/c21-10-13-28(25,26)15-17-2-6-18(7-3-17)20(24)27-14-16-4-8-19(9-5-16)23-12-1-11-22-23/h1-9,11-12H,13-15H2