4-bromanyl-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 4-bromo-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-bromo-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-bromo-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-bromo-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C22H18BrFN2O3S MolecularWeight: 489.357323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18BrFN2O3S/c23-18-4-1-16(2-5-18)22(27)25-20-8-3-15-11-12-26(14-17(15)13-20)30(28,29)21-9-6-19(24)7-10-21/h1-10,13H,11-12,14H2,(H,25,27)