Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : T8D

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
2	InChIKey	InChI	1.03	LFGOPTUHDODAIB-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O
4	SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2
5	SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl
6	Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl