N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(1-isoquinolylthio)acetamide Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N5O3S2/c1-15-13-21(26-16(2)25-15)28-33(30,31)19-9-7-18(8-10-19)27-22(29)14-32-23-20-6-4-3-5-17(20)11-12-24-23/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28)