N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19N5O4S2/c1-14-12-21(24-15(2)23-14)26-31(27,28)18-8-6-17(7-9-18)25-32(29,30)20-5-3-4-16-13-22-11-10-19(16)20/h3-13,25H,1-2H3,(H,23,24,26)