3-[[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoate

Systemtic Name: 3-[[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoate Openeye Name: 3-[[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoate CAS Name: 3-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]-4,5-dimethylbenzoate IUPAC Name: 3-[[4-(3-cyanopyridin-2-yl)oxy-2-methylphenyl]sulfamoyl]-4,5-dimethylbenzoate Traditional Name: 3-[[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoate Formula: C22H18N3O5S- MolecularWeight: 436.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-13-9-17(22(26)27)11-20(15(13)3)31(28,29)25-19-7-6-18(10-14(19)2)30-21-16(12-23)5-4-8-24-21/h4-11,25H,1-3H3,(H,26,27)/p-1