4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C27H25N5O3S/c33-26(30-24-10-12-25(13-11-24)36(34,35)31-27-28-15-3-16-29-27)22-8-6-20(7-9-22)18-32-17-14-21-4-1-2-5-23(21)19-32/h1-13,15-16H,14,17-19H2,(H,30,33)(H,28,29,31)