methyl 4-methoxy-3-(3-quinolin-4-ylpyrazol-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 4-methoxy-3-(3-quinolin-4-ylpyrazol-1-yl)sulfonyl-benzoate Openeye Name: methyl 4-methoxy-3-[3-(4-quinolyl)pyrazol-1-yl]sulfonyl-benzoate CAS Name: 4-methoxy-3-[[3-(4-quinolinyl)-1-pyrazolyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-(3-quinolin-4-ylpyrazol-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-[3-(4-quinolyl)pyrazol-1-yl]sulfonyl-benzoic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2C=CC(=N2)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2C=CC(=N2)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C21H17N3O5S/c1-28-19-8-7-14(21(25)29-2)13-20(19)30(26,27)24-12-10-18(23-24)16-9-11-22-17-6-4-3-5-15(16)17/h3-13H,1-2H3