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Molecule : A1IBD

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1
2	InChIKey	InChI	1.06	IDMMCFWFSJXQMU-VIFPVBQESA-N
3	SMILES	CACTVS	3.385	C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1
4	SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)S(=O)(=O)NCC(C)N
5	Canonical SMILES	CACTVS	3.385	C[C@H](N)CN[S](=O)(=O)c1ccc(C)cc1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)S(=O)(=O)NC[C@H](C)N