N,N-dimethyl-4-[4-[(1R,5S)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (Q27215464)

BRD-K75449859-019-01-6 (English)

11 October 2016

chemical formula

C₂₇H₂₉N₃O₃S

1 reference

BRD-K75449859-019-01-6 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K75449859-019-01-6 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K75449859-019-01-6 (English)

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

11 October 2016

Identifiers

InChI

1 reference

BRD-K75449859-019-01-6 (English)

BUYXNGUVPAKVHM-IQCGEYIDSA-N

11 October 2016

InChIKey

2 references

BRD-K75449859-019-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K75449859-019-01-6 (English)

matched by identifier from

11 October 2016

InChIKey

BUYXNGUVPAKVHM-IQCGEYIDSA-N

ChEBI ID

125122

mapping relation type

2 references

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