2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfonyl]ethanoate

Systemtic Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfonyl]ethanoate Openeye Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfonyl]acetate CAS Name: 2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylsulfonyl]acetate IUPAC Name: 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylsulfonyl]acetate Traditional Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfonyl]acetate Formula: C18H14ClN2O4S- MolecularWeight: 389.83276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CS(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CS(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C18H15ClN2O4S/c19-15-8-6-13(7-9-15)18-14(11-26(24,25)12-17(22)23)10-21(20-18)16-4-2-1-3-5-16/h1-10H,11-12H2,(H,22,23)/p-1