N-[3-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide

Systemtic Name: N-[3-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide CAS Name: 3-(benzenesulfonyl)-N-[3-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-2-thiophenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Traditional Name: 3-besyl-N-[3-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Formula: C25H19ClN2O4S3 MolecularWeight: 543.07736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C=CC(=C2)Cl)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN=C(C2=C1C=CC(=C2)Cl)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H19ClN2O4S3/c26-19-10-9-17-11-13-27-24(22(17)16-19)18-5-4-6-20(15-18)28-35(31,32)25-23(12-14-33-25)34(29,30)21-7-2-1-3-8-21/h1-10,12,14-16,28H,11,13H2