3-cyano-N-isoquinolin-1-yl-benzenesulfonamide

Systemtic Name: 3-cyano-N-isoquinolin-1-yl-benzenesulfonamide Openeye Name: 3-cyano-N-(1-isoquinolyl)benzenesulfonamide CAS Name: 3-cyano-N-(1-isoquinolinyl)benzenesulfonamide IUPAC Name: 3-cyano-N-isoquinolin-1-ylbenzenesulfonamide Traditional Name: 3-cyano-N-(1-isoquinolyl)benzenesulfonamide Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H11N3O2S/c17-11-12-4-3-6-14(10-12)22(20,21)19-16-15-7-2-1-5-13(15)8-9-18-16/h1-10H,(H,18,19)