2-[4-(2-sulfosulfanylethanoyl)piperazin-1-yl]quinoline

Systemtic Name: 2-[4-(2-sulfosulfanylethanoyl)piperazin-1-yl]quinoline Openeye Name: 2-[4-(2-sulfosulfanylacetyl)piperazin-1-yl]quinoline CAS Name: 2-[4-[1-oxo-2-(sulfothio)ethyl]-1-piperazinyl]quinoline IUPAC Name: 2-[4-(2-sulfosulfanylacetyl)piperazin-1-yl]quinoline Traditional Name: 2-[4-[2-(sulfothio)acetyl]piperazino]quinoline Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CSS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CSS(=O)(=O)O

InChI

InChI=1S/C15H17N3O4S2/c19-15(11-23-24(20,21)22)18-9-7-17(8-10-18)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,20,21,22)