N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-4-cyano-benzenesulfonamide

Systemtic Name: N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-4-cyano-benzenesulfonamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C=C(C=C2)Cl)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN=C(C2=C1C=C(C=C2)Cl)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16ClN3O2S/c23-18-6-9-21-16(12-18)10-11-25-22(21)17-2-1-3-19(13-17)26-29(27,28)20-7-4-15(14-24)5-8-20/h1-9,12-13,26H,10-11H2