(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H19ClFN3O4S MolecularWeight: 451.898963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H19ClFN3O4S/c1-14-18(20(21)25(23-14)16-6-4-3-5-7-16)13-29-19(26)12-24(2)30(27,28)17-10-8-15(22)9-11-17/h3-11H,12-13H2,1-2H3