5-bromanyl-2-chloranyl-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 5-bromo-2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 5-bromo-2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 5-bromo-2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 5-bromo-2-chloro-N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C18H18BrClN2O3S MolecularWeight: 457.76912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C18H18BrClN2O3S/c1-2-26(24,25)22-8-7-12-3-5-15(9-13(12)11-22)21-18(23)16-10-14(19)4-6-17(16)20/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)