N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[4-(methylsulfamoylmethyl)benzyl]cinchoninamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)CS(=O)(=O)NC

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)CS(=O)(=O)NC

InChI

InChI=1S/C22H25N3O3S/c1-15(2)21-12-19(18-6-4-5-7-20(18)25-21)22(26)24-13-16-8-10-17(11-9-16)14-29(27,28)23-3/h4-12,15,23H,13-14H2,1-3H3,(H,24,26)