(1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (Q27222641)

BRD-K42723976-001-01-0 (English)

12 October 2016

chemical formula

C₂₅H₂₆N₂O₂S

1 reference

BRD-K42723976-001-01-0 (English)

12 October 2016

canonical SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CNCC3N4S(=O)(=O)C5=CC=C(C=C5)C

1 reference

BRD-K42723976-001-01-0 (English)

12 October 2016

isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4S(=O)(=O)C5=CC=C(C=C5)C

1 reference

BRD-K42723976-001-01-0 (English)

InChI=1S/C25H26N2O2S/c1-17-3-7-19(8-4-17)20-9-11-21(12-10-20)25-23-15-26-16-24(25)27(23)30(28,29)22-13-5-18(2)6-14-22/h3-14,23-26H,15-16H2,1-2H3/t23-,24+,25?

12 October 2016

Identifiers

InChI

1 reference

BRD-K42723976-001-01-0 (English)

OPHGZUCHEMWURQ-XMGLRAKGSA-N

12 October 2016

InChIKey

2 references

BRD-K42723976-001-01-0 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K42723976-001-01-0 (English)

matched by identifier from

12 October 2016

InChIKey

OPHGZUCHEMWURQ-XMGLRAKGSA-N

ChEBI ID

129317

mapping relation type

2 references

(1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (English)