N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-[2-(homopiperonylamino)ethyl]-1-keto-2H-isoquinoline-5-sulfonamide Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCCNS(=O)(=O)C3=CC=CC4=C3C=CNC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCCNS(=O)(=O)C3=CC=CC4=C3C=CNC4=O

InChI

InChI=1S/C20H21N3O5S/c24-20-16-2-1-3-19(15(16)7-9-22-20)29(25,26)23-11-10-21-8-6-14-4-5-17-18(12-14)28-13-27-17/h1-5,7,9,12,21,23H,6,8,10-11,13H2,(H,22,24)