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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(diethylsulfamoyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-23(4-2)29(26,27)20-12-8-18(9-13-20)21(25)28-16-17-6-10-19(11-7-17)24-15-5-14-22-24/h5-15H,3-4,16H2,1-2H3