N-(5-bromanylpyridin-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(5-bromo-2-pyridyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(5-bromo-2-pyridinyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(5-bromopyridin-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(5-bromo-2-pyridyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3S/c22-18-8-9-20(23-13-18)24-21(26)16-6-3-7-19(12-16)29(27,28)25-11-10-15-4-1-2-5-17(15)14-25/h1-9,12-13H,10-11,14H2,(H,23,24,26)