7-chloranyl-4-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline

Systemtic Name: 7-chloranyl-4-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline Openeye Name: 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline CAS Name: 7-chloro-4-[5-[2-(sulfothio)ethylamino]pentoxy]isoquinoline IUPAC Name: 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline Traditional Name: 7-chloro-4-[5-[2-(sulfothio)ethylamino]pentoxy]isoquinoline Formula: C16H21ClN2O4S2 MolecularWeight: 404.93194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NC=C2C=C1Cl)OCCCCCNCCSS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=NC=C2C=C1Cl)OCCCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C16H21ClN2O4S2/c17-14-4-5-15-13(10-14)11-19-12-16(15)23-8-3-1-2-6-18-7-9-24-25(20,21)22/h4-5,10-12,18H,1-3,6-9H2,(H,20,21,22)