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VIQ

Summary

Name:	4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
Formula:	C16 H23 N3 O3 S
Formal charge:	0
Formula weight:	337.437 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-methoxy-2,3,6-trimethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
OpenEye OEToolkits	1.7.2	4-methoxy-2,3,6-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc1c(nn(c1C)C)C)c2c(cc(OC)c(c2C)C)C
InChI	InChI	1.03	InChI=1S/C16H23N3O3S/c1-9-8-14(22-7)10(2)11(3)16(9)23(20,21)18-15-12(4)17-19(6)13(15)5/h8,18H,1-7H3
InChIKey	InChI	1.03	FHWPTZQYVNRXMX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C
SMILES	CACTVS	3.370	COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC
SMILES	OpenEye OEToolkits	1.7.2	Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC

223532

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