3-[[4-(tert-butylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(tert-butylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(tert-butylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(tert-butylsulfamoyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(tert-butylsulfamoyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(tert-butylsulfamoyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)NS(=O)(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N4O4S/c1-25(2,3)27-34(32,33)29-15-13-28(14-16-29)17-20-22(24(30)31)19-11-7-8-12-21(19)26-23(20)18-9-5-4-6-10-18/h4-12,27H,13-17H2,1-3H3,(H,30,31)