N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide (Q27451436)

CHEMBL2172322 (English)

19 October 2016

chemical formula

C₃₀H₃₉N₅O₄S

1 reference

stated in

RCSB protein data bank

PDB ligand ID

0US

16 February 2021

canonical SMILES

OCC1CCC(CC1)N2C(=NC(=O)C3=CC=CC(=C3)S(=O)(=O)NCC=C)NC4=CC(CN5CCCCC5)=CC=C24

1 reference

CHEMBL2172322 (English)

19 October 2016

isomeric SMILES

OC[C@@H]1CC[C@@H](CC1)N2/C(=N/C(=O)C3=CC=CC(=C3)S(=O)(=O)NCC=C)/NC4=CC(CN5CCCCC5)=CC=C24

1 reference

CHEMBL2172322 (English)

InChI=1S/C30H39N5O4S/c1-2-15-31-40(38,39)26-8-6-7-24(19-26)29(37)33-30-32-27-18-23(20-34-16-4-3-5-17-34)11-14-28(27)35(30)25-12-9-22(21-36)10-13-25/h2,6-8,11,14,18-19,22,25,31,36H,1,3-5,9-10,12-13,15-17,20-21H2,(H,32,33,37)/t22-,25+

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2172322 (English)

LWJAHJMKAARBCO-WZJNIGMMSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2172322 (English)

19 October 2016

1 reference

3-(Allylsulfamoyl)-N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-1H-benzimidazol-2-yl}benzamide (English)

19 October 2016

1 reference

CHEMBL2172322 (English)

19 October 2016

0 references

1 reference

4FOB (English)