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

Systemtic Name: N-[4-(7-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide CAS Name: 3-(benzenesulfonyl)-N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-2-thiophenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Traditional Name: 3-besyl-N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Formula: C25H19FN2O4S3 MolecularWeight: 526.622763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19FN2O4S3/c26-19-9-6-17-12-14-27-24(22(17)16-19)18-7-10-20(11-8-18)28-35(31,32)25-23(13-15-33-25)34(29,30)21-4-2-1-3-5-21/h1-11,13,15-16,28H,12,14H2