N-[4-(7-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

Systemtic Name: N-[4-(7-fluoranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Openeye Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide CAS Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(3-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Traditional Name: N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide Formula: C22H16FN3O3S2 MolecularWeight: 453.509143

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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=CC=C(S4)C5=NOC=C5

Isomeric SMILES

C1CN=C(C2=C1C=CC(=C2)F)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)C5=NOC=C5

InChI

InChI=1S/C22H16FN3O3S2/c23-16-4-1-14-9-11-24-22(18(14)13-16)15-2-5-17(6-3-15)26-31(27,28)21-8-7-20(30-21)19-10-12-29-25-19/h1-8,10,12-13,26H,9,11H2