O7F

4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol

Created:	2022-04-27
Last modified:	2023-04-12

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1 entries where O7F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	12

2D diagram of O7F

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Chemical Component Summary
Name	4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol
Systematic Name (OpenEye OEToolkits)	4-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]sulfonylbenzene-1,2-diol
Formula	C₁₆ H₁₉ N₃ O₆ S₂
Molecular Weight	413.469
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1
SMILES	CACTVS	3.385	Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O)N
Canonical SMILES	CACTVS	3.385	Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O)N
InChI	InChI	1.03	InChI=1S/C16H19N3O6S2/c17-12-2-1-3-13(10-12)26(22,23)18-6-8-19(9-7-18)27(24,25)14-4-5-15(20)16(21)11-14/h1-5,10-11,20-21H,6-9,17H2
InChIKey	InChI	1.03	QVDPVEUJCVOZAG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167713139

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