5-bromanyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-furamide Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C21H19BrN2O4S/c1-14-2-6-18(7-3-14)29(26,27)24-11-10-15-4-5-17(12-16(15)13-24)23-21(25)19-8-9-20(22)28-19/h2-9,12H,10-11,13H2,1H3,(H,23,25)