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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[phenyl(phenylsulfonylamino)methyl]isoquinoline-3-carboxylic acid Openeye Name: 2-[benzenesulfonamido(phenyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[benzenesulfonamido(phenyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[benzenesulfonamido(phenyl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[benzenesulfonamido(phenyl)methyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H21BrN2O5S MolecularWeight: 589.45644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)C(C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)C(C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H21BrN2O5S/c30-21-16-17-23-24(18-21)25(19-10-4-1-5-11-19)26(29(34)35)32(28(23)33)27(20-12-6-2-7-13-20)31-38(36,37)22-14-8-3-9-15-22/h1-18,27,31H,(H,34,35)