sodium 2-[4-(2-sulfonatosulfanylethanoyl)piperazin-1-yl]quinoline

Systemtic Name: sodium 2-[4-(2-sulfonatosulfanylethanoyl)piperazin-1-yl]quinoline Openeye Name: sodium 2-[4-(2-sulfonatosulfanylacetyl)piperazin-1-yl]quinoline CAS Name: sodium 2-[4-[1-oxo-2-(sulfonatothio)ethyl]-1-piperazinyl]quinoline IUPAC Name: sodium 2-[4-(2-sulfonatosulfanylacetyl)piperazin-1-yl]quinoline Traditional Name: sodium 2-[4-[2-(sulfonatothio)acetyl]piperazino]quinoline Formula: C15H16N3NaO4S2 MolecularWeight: 389.42501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H17N3O4S2.Na/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);/q;+1/p-1