N,N-dimethyl-3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (Q27215477)

BRD-K87939627-019-01-3 (English)

11 October 2016

chemical formula

C₂₇H₂₉N₃O₃S

1 reference

BRD-K87939627-019-01-3 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1S(=O)(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)N(C)C

1 reference

BRD-K87939627-019-01-3 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)N(C)C

1 reference

BRD-K87939627-019-01-3 (English)

InChI=1S/C27H29N3O3S/c1-18-7-4-5-10-25(18)34(32,33)30-16-23-26(24(17-30)28-23)20-13-11-19(12-14-20)21-8-6-9-22(15-21)27(31)29(2)3/h4-15,23-24,26,28H,16-17H2,1-3H3/t23-,24+,26?

11 October 2016

Identifiers

InChI

1 reference

BRD-K87939627-019-01-3 (English)

ZRGYSENWLYOUNG-MAOIWGCQSA-N

11 October 2016

InChIKey

2 references

BRD-K87939627-019-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K87939627-019-01-3 (English)

11 October 2016

ChEBI ID

125134

mapping relation type

2 references

N,N-dimethyl-3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (English)