N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]isoquinoline-5-sulfonamide Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H17N5O4S2/c1-14-9-12-22-20(23-14)25-30(26,27)17-7-5-16(6-8-17)24-31(28,29)19-4-2-3-15-13-21-11-10-18(15)19/h2-13,24H,1H3,(H,22,23,25)