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Summary Geometry Related PDB entries

A1H18

Summary

Name:	1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide
Formula:	C21 H22 Cl2 N4 O5 S
Formal charge:	0
Formula weight:	513.394 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H22Cl2N4O5S/c1-11-9-16(32-19(11)21(29)27-7-5-12(6-8-27)20(28)24-2)33(30,31)26-15-4-3-13(22)17-14(23)10-25-18(15)17/h3-4,9-10,12,25-26H,5-8H2,1-2H3,(H,24,28)
InChIKey	InChI	1.06	IUAIKPCCBLHWMQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)C1CCN(CC1)C(=O)c2oc(cc2C)[S](=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34
SMILES	CACTVS	3.385	CNC(=O)C1CCN(CC1)C(=O)c2oc(cc2C)[S](=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(oc1C(=O)N2CCC(CC2)C(=O)NC)S(=O)(=O)Nc3ccc(c4c3[nH]cc4Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(oc1C(=O)N2CCC(CC2)C(=O)NC)S(=O)(=O)Nc3ccc(c4c3[nH]cc4Cl)Cl

220472

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