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

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(homopiperonylamino)ethyl]isoquinoline-5-sulfonamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H21N3O4S/c24-28(25,20-3-1-2-16-13-22-9-7-17(16)20)23-11-10-21-8-6-15-4-5-18-19(12-15)27-14-26-18/h1-5,7,9,12-13,21,23H,6,8,10-11,14H2