VW4

(2S)-2-phenylpropane-1-sulfonamide

Created:	2020-09-17
Last modified:	2020-09-30

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3 entries where VW4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of VW4

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Chemical Component Summary
Name	(2S)-2-phenylpropane-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-phenylpropane-1-sulfonamide
Formula	C₉ H₁₃ N O₂ S
Molecular Weight	199.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NS(CC(c1ccccc1)C)(=O)=O
SMILES	CACTVS	3.385	C[CH](C[S](N)(=O)=O)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CC(CS(=O)(=O)N)c1ccccc1
Canonical SMILES	CACTVS	3.385	C[C@H](C[S](N)(=O)=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](CS(=O)(=O)N)c1ccccc1
InChI	InChI	1.03	InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1
InChIKey	InChI	1.03	HXLOQIXEAPZOSG-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	94347260

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.