(1-phenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H18N4O4S/c21-11-4-12-23-29(26,27)19-9-7-17(8-10-19)20(25)28-15-16-13-22-24(14-16)18-5-2-1-3-6-18/h1-3,5-10,13-14,23H,4,12,15H2