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

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(phenylsulfonylamino)phenyl]methyl]isoquinoline-3-carboxylate Openeye Name: methyl 2-[[4-(benzenesulfonamido)phenyl]methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-[[4-(benzenesulfonamido)phenyl]methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzenesulfonamido)phenyl]methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 2-[4-(benzenesulfonamido)benzyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C30H23BrN2O5S MolecularWeight: 603.48302

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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)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H23BrN2O5S/c1-38-30(35)28-27(21-8-4-2-5-9-21)26-18-22(31)14-17-25(26)29(34)33(28)19-20-12-15-23(16-13-20)32-39(36,37)24-10-6-3-7-11-24/h2-18,32H,19H2,1H3