RNN

N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide

Created:	2011-04-26
Last modified:	2011-06-04

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1 entries where RNN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	6

2D diagram of RNN

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Chemical Component Summary
Name	N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]ethyl]propane-2-sulfonamide
Formula	C₁₆ H₂₈ N₂ O₄ S₂
Molecular Weight	376.535
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C(C)C
SMILES	CACTVS	3.370	CC(C)[S](=O)(=O)NCCc1ccc(CCN[S](=O)(=O)C(C)C)cc1
SMILES	OpenEye OEToolkits	1.7.2	CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C
Canonical SMILES	CACTVS	3.370	CC(C)[S](=O)(=O)NCCc1ccc(CCN[S](=O)(=O)C(C)C)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C
InChI	InChI	1.03	InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKey	InChI	1.03	FHLGMMYEKXPVSC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9969799

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.