8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one (Q27467720)

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

19 October 2016

chemical formula

C₂₇H₃₄N₄O₄S

1 reference

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

19 October 2016

canonical SMILES

CC1=CC2=C(C=CC(=C2NC1=O)NC3CCNCC3OCC4CCS(=O)(=O)CC4)C5=CC(=CN=C5)C

1 reference

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

19 October 2016

isomeric SMILES

CC1=CC2=C(C=CC(=C2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)C5=CC(=CN=C5)C

1 reference

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

InChI=1S/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

KXXIBIBXJMYWNL-ILBGXUMGSA-N

19 October 2016

InChIKey

1 reference

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

19 October 2016

2 references

8-[[(3r,4r)-3-[[1,1-Bis(Oxidanylidene)thian-4-Yl]methoxy]piperidin-4-Yl]amino]-3-Methyl-5-(5-Methylpyridin-3-Yl)-1h-Quinolin-2-One (English)

matched by identifier from

19 October 2016

InChIKey

KXXIBIBXJMYWNL-ILBGXUMGSA-N

1 reference

CHEMBL3590405 (English)

19 October 2016

1 reference

0 references

1 reference

5A83 (English)