3-bromanyl-N-[3-[(9-methoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[3-[(9-methoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: 3-bromo-N-[3-[(9-methoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: 3-bromo-N-[3-[(9-methoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[3-[(9-methoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: 3-bromo-N-[3-[(4-keto-9-methoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]phenyl]benzenesulfonamide Formula: C25H21BrN4O4S MolecularWeight: 553.42764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=CC(=NC(=O)N3CC2)NC4=CC(=CC=C4)NS(=O)(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C3=CC(=NC(=O)N3CC2)NC4=CC(=CC=C4)NS(=O)(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H21BrN4O4S/c1-34-20-8-9-22-16(12-20)10-11-30-23(22)15-24(28-25(30)31)27-18-5-3-6-19(14-18)29-35(32,33)21-7-2-4-17(26)13-21/h2-9,12-15,29H,10-11H2,1H3,(H,27,28,31)