N-(2-bromanyl-4-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(2-bromo-4-methylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

InChI

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