N,N-dimethyl-3-[4-[(1R,5S)-6-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (Q27219399)

BRD-K25228014-001-01-5 (English)

11 October 2016

chemical formula

C₂₇H₂₉N₃O₃S

1 reference

BRD-K25228014-001-01-5 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K25228014-001-01-5 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K25228014-001-01-5 (English)

InChI=1S/C27H29N3O3S/c1-29(2)27(31)23-10-6-9-22(15-23)20-11-13-21(14-12-20)26-24-16-28-17-25(26)30(24)34(32,33)18-19-7-4-3-5-8-19/h3-15,24-26,28H,16-18H2,1-2H3/t24-,25+,26?

11 October 2016

Identifiers

InChI

1 reference

BRD-K25228014-001-01-5 (English)

SRXNJNIQTKAFIS-IQCGEYIDSA-N

11 October 2016

InChIKey

2 references

BRD-K25228014-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K25228014-001-01-5 (English)

11 October 2016

ChEBI ID

127083

mapping relation type

2 references

N,N-dimethyl-3-[4-[(1R,5S)-6-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (English)