1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline

Systemtic Name: 1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline Openeye Name: 1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline CAS Name: 1-[5-[2-(sulfothio)ethylamino]pentoxy]isoquinoline IUPAC Name: 1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline Traditional Name: 1-[5-[2-(sulfothio)ethylamino]pentoxy]isoquinoline Formula: C16H22N2O4S2 MolecularWeight: 370.48688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OCCCCCNCCSS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OCCCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C16H22N2O4S2/c19-24(20,21)23-13-11-17-9-4-1-5-12-22-16-15-7-3-2-6-14(15)8-10-18-16/h2-3,6-8,10,17H,1,4-5,9,11-13H2,(H,19,20,21)