(1,3-diphenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4S/c27-16-7-17-28-35(32,33)24-14-12-21(13-15-24)26(31)34-19-22-18-30(23-10-5-2-6-11-23)29-25(22)20-8-3-1-4-9-20/h1-6,8-15,18,28H,7,17,19H2