1-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid

Systemtic Name: 1-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid Openeye Name: 1-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid CAS Name: 1-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-2-benzimidazolyl]-4H-quinoline-3-carboxylic acid IUPAC Name: 1-[1-(dimethylsulfamoyl)-4-prop-2-ynoxybenzimidazol-2-yl]-4H-quinoline-3-carboxylic acid Traditional Name: 1-[1-(dimethylsulfamoyl)-4-propargyloxy-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1C2=C(C(=CC=C2)OCC#C)N=C1N3C=C(CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)N1C2=C(C(=CC=C2)OCC#C)N=C1N3C=C(CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H20N4O5S/c1-4-12-31-19-11-7-10-18-20(19)23-22(26(18)32(29,30)24(2)3)25-14-16(21(27)28)13-15-8-5-6-9-17(15)25/h1,5-11,14H,12-13H2,2-3H3,(H,27,28)