(4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C22H22ClN3O5S/c23-20-9-6-17(13-21(20)32(28,29)25-14-19-3-1-12-30-19)22(27)31-15-16-4-7-18(8-5-16)26-11-2-10-24-26/h2,4-11,13,19,25H,1,3,12,14-15H2