(1-phenylpyrazol-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4S/c21-20(22,23)16-5-4-8-18(11-16)31(28,29)25-10-9-19(27)30-14-15-12-24-26(13-15)17-6-2-1-3-7-17/h1-8,11-13,25H,9-10,14H2