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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(3-pyridylsulfamoyl)phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(3-pyridinylsulfamoyl)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(3-pyridylsulfamoyl)phenyl]benzamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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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=CN=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CN=CC=C5

InChI

InChI=1S/C28H26N4O3S/c33-28(30-25-11-13-27(14-12-25)36(34,35)31-26-6-3-16-29-18-26)23-9-7-21(8-10-23)19-32-17-15-22-4-1-2-5-24(22)20-32/h1-14,16,18,31H,15,17,19-20H2,(H,30,33)