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Molecule : O55

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H19BrN4O4S/c17-12-2-1-11(15(22)9-12)10-19-7-8-20-16(23)21-13-3-5-14(6-4-13)26(18,24)25/h1-6,9,19,22H,7-8,10H2,(H2,18,24,25)(H2,20,21,23)
2	InChIKey	InChI	1.03	VTRVGGSRBCQHQF-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(Br)cc2O)cc1
4	SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N
5	Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(Br)cc2O)cc1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N