5-[4-(phenylsulfonyl)phenyl]sulfonylisoquinoline

Systemtic Name: 5-[4-(phenylsulfonyl)phenyl]sulfonylisoquinoline Openeye Name: 5-[4-(benzenesulfonyl)phenyl]sulfonylisoquinoline CAS Name: 5-[4-(benzenesulfonyl)phenyl]sulfonylisoquinoline IUPAC Name: 5-[4-(benzenesulfonyl)phenyl]sulfonylisoquinoline Traditional Name: 5-(4-besylphenyl)sulfonylisoquinoline Formula: C21H15NO4S2 MolecularWeight: 409.4781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H15NO4S2/c23-27(24,17-6-2-1-3-7-17)18-9-11-19(12-10-18)28(25,26)21-8-4-5-16-15-22-14-13-20(16)21/h1-15H