4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide Formula: C27H25N5O5S2 MolecularWeight: 563.6479

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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=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25N5O5S2/c1-19-14-16-28-27(29-19)31-38(34,35)24-12-8-23(9-13-24)30-26(33)21-6-10-25(11-7-21)39(36,37)32-17-15-20-4-2-3-5-22(20)18-32/h2-14,16H,15,17-18H2,1H3,(H,30,33)(H,28,29,31)