(1-phenylpyrazol-4-yl)methyl 4-(diethylsulfamoyl)benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(diethylsulfamoyl)benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid (1-phenylpyrazol-4-yl)methyl 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=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

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