N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

Systemtic Name: N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Openeye Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide CAS Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(3-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Traditional Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide Formula: C22H16ClN3O3S2 MolecularWeight: 469.96374

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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(S4)C5=NOC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O3S2/c23-16-4-5-18-14(12-16)8-10-24-22(18)15-2-1-3-17(13-15)26-31(27,28)21-7-6-20(30-21)19-9-11-29-25-19/h1-7,9,11-13,26H,8,10H2