2-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]cinchoninamide Formula: C28H21N5O5S MolecularWeight: 539.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H21N5O5S/c1-17-12-13-29-28(30-17)33-39(35,36)20-9-7-19(8-10-20)31-27(34)22-15-24(32-23-5-3-2-4-21(22)23)18-6-11-25-26(14-18)38-16-37-25/h2-15H,16H2,1H3,(H,31,34)(H,29,30,33)