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Summary Geometry Related PDB entries

NZR

Summary

Name:	(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C14 H13 N5 O2 S
Formal charge:	0
Formula weight:	315.35 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
OpenEye OEToolkits	2.0.7	3-(4-methylphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O
InChI	InChI	1.03	InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19)
InChIKey	InChI	1.03	JNVRWMYBFOXGPS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N)(=O)=O
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S(=O)(=O)N

227344

數據於2024-11-13公開中

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