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

Systemtic Name: methyl 6-bromanyl-2-[[4-(methylsulfonylamino)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-[[4-(methanesulfonamido)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-[[4-(methanesulfonamido)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-[[4-(methanesulfonamido)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-2-[4-(methanesulfonamido)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C25H21BrN2O5S MolecularWeight: 541.41364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN2O5S/c1-33-25(30)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(29)28(23)15-16-8-11-19(12-9-16)27-34(2,31)32/h3-14,27H,15H2,1-2H3