(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)C3=CC=CC=C3

InChI

InChI=1S/C22H18N4O4S/c1-3-12-24-31(28,29)19-11-7-8-17(13-19)22(27)30-15-21-20(14-23)16(2)25-26(21)18-9-5-4-6-10-18/h1,4-11,13,24H,12,15H2,2H3