methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-[(4-sulfamoylphenyl)methyl]isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-[(4-sulfamoylphenyl)methyl]isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-1-oxo-4-phenyl-2-[(4-sulfamoylphenyl)methyl]isoquinoline-3-carboxylate CAS Name: 6-bromo-1-oxo-4-phenyl-2-[(4-sulfamoylphenyl)methyl]-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-1-oxo-4-phenyl-2-[(4-sulfamoylphenyl)methyl]isoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-4-phenyl-2-(4-sulfamoylbenzyl)isoquinoline-3-carboxylic acid methyl ester Formula: C24H19BrN2O5S MolecularWeight: 527.38706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H19BrN2O5S/c1-32-24(29)22-21(16-5-3-2-4-6-16)20-13-17(25)9-12-19(20)23(28)27(22)14-15-7-10-18(11-8-15)33(26,30)31/h2-13H,14H2,1H3,(H2,26,30,31)