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Molecule : H6E

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C15H27NO3S/c17-20(18,12-14-5-4-10-19-11-14)16-9-8-15(13-16)6-2-1-3-7-15/h14H,1-13H2/t14-/m1/s1
2	InChIKey	InChI	1.03	IRCQTRJXJMLOAH-CQSZACIVSA-N
3	SMILES	CACTVS	3.385	O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2
4	SMILES	OpenEye OEToolkits	2.0.6	C1CCC2(CC1)CCN(C2)S(=O)(=O)CC3CCCOC3
5	Canonical SMILES	CACTVS	3.385	O=[S](=O)(C[C@@H]1CCCOC1)N2CCC3(CCCCC3)C2
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3