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

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-chloranyl-quinoline-5-sulfonamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-chloro-quinoline-5-sulfonamide CAS Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-chloro-5-quinolinesulfonamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-8-chloroquinoline-5-sulfonamide Traditional Name: 8-chloro-N-[2-(homopiperonylamino)ethyl]quinoline-5-sulfonamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCCNS(=O)(=O)C3=C4C=CC=NC4=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCCNS(=O)(=O)C3=C4C=CC=NC4=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O4S/c21-16-4-6-19(15-2-1-8-23-20(15)16)29(25,26)24-11-10-22-9-7-14-3-5-17-18(12-14)28-13-27-17/h1-6,8,12,22,24H,7,9-11,13H2