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Summary Geometry Related PDB entries

A1I6I

Summary

Name:	~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide
Formula:	C17 H19 F4 N3 O3 S
Formal charge:	0
Formula weight:	421.41 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C17H19F4N3O3S/c1-23(2)28(26,27)8-9-4-3-5-24(7-9)17(25)10-6-22-16-11(10)12(18)13(19)14(20)15(16)21/h6,9,22H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKey	InChI	1.06	WWUFKLXXIIQYLV-VIFPVBQESA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)[S](=O)(=O)C[C@H]1CCCN(C1)C(=O)c2c[nH]c3c(F)c(F)c(F)c(F)c23
SMILES	CACTVS	3.385	CN(C)[S](=O)(=O)C[CH]1CCCN(C1)C(=O)c2c[nH]c3c(F)c(F)c(F)c(F)c23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)S(=O)(=O)C[C@H]1CCCN(C1)C(=O)c2c[nH]c3c2c(c(c(c3F)F)F)F
SMILES	OpenEye OEToolkits	2.0.7	CN(C)S(=O)(=O)CC1CCCN(C1)C(=O)c2c[nH]c3c2c(c(c(c3F)F)F)F

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