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

Systemtic Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Openeye Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide CAS Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-(3-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Traditional Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)C5=NOC=C5

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)C5=NOC=C5

InChI

InChI=1S/C22H17N3O3S2/c26-30(27,21-10-9-20(29-21)19-12-14-28-24-19)25-17-7-5-16(6-8-17)22-18-4-2-1-3-15(18)11-13-23-22/h1-10,12,14,25H,11,13H2