(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O4S/c1-15-19(12-23)20(26(24-15)17-6-4-3-5-7-17)14-30-21(27)13-25(2)31(28,29)18-10-8-16(22)9-11-18/h3-11H,13-14H2,1-2H3