ethyl 2-cyano-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoate

Systemtic Name: ethyl 2-cyano-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoate Openeye Name: ethyl 2-cyano-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoate CAS Name: 2-cyano-3-[5-phenyl-1-(4-sulfamoylphenyl)-3-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoate Traditional Name: 2-cyano-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propionic acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C#N

Isomeric SMILES

CCOC(=O)C(CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C21H20N4O4S/c1-2-29-21(26)16(14-22)12-17-13-20(15-6-4-3-5-7-15)25(24-17)18-8-10-19(11-9-18)30(23,27)28/h3-11,13,16H,2,12H2,1H3,(H2,23,27,28)