N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide (Q27453752)

N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide (English)

19 October 2016

chemical formula

C₃₁H₃₀N₆O₃S

1 reference

stated in

RCSB protein data bank

PDB ligand ID

3EL

16 February 2021

canonical SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C3=C2C=CC=C3)OC4=C(C=CC=N4)C5=CC=NC(=N5)NC6CCC(CC6)N

1 reference

N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide (English)

InChI=1S/C31H30N6O3S/c32-21-12-14-22(15-13-21)35-31-34-20-18-27(36-31)26-11-6-19-33-30(26)40-29-17-16-28(24-9-4-5-10-25(24)29)37-41(38,39)23-7-2-1-3-8-23/h1-11,16-22,37H,12-15,32H2,(H,34,35,36)/t21-,22-

19 October 2016

isomeric SMILES

N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(NS(=O)(=O)c4ccccc4)c4ccccc34)n2)CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide (English)

DXCOZKXVDMXKGR-HZCBDIJESA-N

19 October 2016

InChIKey

1 reference

N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide (English)

19 October 2016

1 reference

N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide (English)

19 October 2016

0 references

1 reference

4U79 (English)