(4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-(diethylsulfamoyl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-3-24(4-2)30(27,28)20-14-17(8-11-19(20)22)21(26)29-15-16-6-9-18(10-7-16)25-13-5-12-23-25/h5-14H,3-4,15H2,1-2H3