N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-ethoxy-quinoline-5-sulfonamide

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-N-[2-(homopiperonylamino)ethyl]quinoline-5-sulfonamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NCCNCCC3=CC4=C(C=C3)OCO4)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)NCCNCCC3=CC4=C(C=C3)OCO4)C=CC=N2

InChI

InChI=1S/C22H25N3O5S/c1-2-28-19-7-8-21(17-4-3-10-24-22(17)19)31(26,27)25-13-12-23-11-9-16-5-6-18-20(14-16)30-15-29-18/h3-8,10,14,23,25H,2,9,11-13,15H2,1H3