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

Systemtic Name: N-[4-bromanyl-3-(phenylcarbonyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(3-benzoyl-4-bromo-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(3-benzoyl-4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(3-benzoyl-4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(3-benzoyl-4-bromo-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C29H23BrN2O4S MolecularWeight: 575.47292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Br)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Br)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H23BrN2O4S/c30-27-15-12-24(18-26(27)28(33)21-7-2-1-3-8-21)31-29(34)22-10-13-25(14-11-22)37(35,36)32-17-16-20-6-4-5-9-23(20)19-32/h1-15,18H,16-17,19H2,(H,31,34)