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

Systemtic Name: 3-bromanyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3-bromo-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-bromo-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-bromo-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-bromo-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O3S/c1-16-5-9-22(10-6-16)30(28,29)26-12-11-17-7-8-21(14-19(17)15-26)25-23(27)18-3-2-4-20(24)13-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)