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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-N-[2-(piperonylamino)ethyl]quinoline-5-sulfonamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NCCNCC3=CC4=C(C=C3)OCO4)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)NCCNCC3=CC4=C(C=C3)OCO4)C=CC=N2

InChI

InChI=1S/C21H23N3O5S/c1-2-27-18-7-8-20(16-4-3-9-23-21(16)18)30(25,26)24-11-10-22-13-15-5-6-17-19(12-15)29-14-28-17/h3-9,12,22,24H,2,10-11,13-14H2,1H3