(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate CAS Name: 5-[2-(methanesulfonamido)ethyl]-2-thiophenecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(S2)CCNS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(S2)CCNS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S2/c1-14-17(12-21)18(24(23-14)15-6-4-3-5-7-15)13-28-20(25)19-9-8-16(29-19)10-11-22-30(2,26)27/h3-9,22H,10-11,13H2,1-2H3