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Molecule : M77

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
2	InChIKey	InChI	1.03	NGOGFTYYXHNFQH-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=S(=O)(c2c1ccncc1ccc2)N3CCCNCC3
4	SMILES	CACTVS	3.370	O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23
5	SMILES	OpenEye OEToolkits	1.7.2	c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
6	Canonical SMILES	CACTVS	3.370	O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23
7	Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3