N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide (Q27225346)

MLS000038070 (English)

12 October 2016

chemical formula

C₁₈H₂₁N₃O₃S

1 reference

MLS000038070 (English)

12 October 2016

canonical SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=CN=CC=C3

1 reference

MLS000038070 (English)

InChI=1S/C18H21N3O3S/c1-14(22)20-16-7-9-17(10-8-16)25(23,24)21-12-3-2-6-18(21)15-5-4-11-19-13-15/h4-5,7-11,13,18H,2-3,6,12H2,1H3,(H,20,22)

12 October 2016

Identifiers

InChI

1 reference

MLS000038070 (English)

RIKLLPBLRCPXRV-UHFFFAOYSA-N

12 October 2016

InChIKey

2 references

MLS000038070 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{4-[(2-pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}acetamide (English)

12 October 2016

2 references

MLS000038070 (English)

matched by identifier from

12 October 2016

InChIKey

RIKLLPBLRCPXRV-UHFFFAOYSA-N

ChEBI ID

131995

mapping relation type

2 references

N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide (English)

matched by identifier from

12 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H21N3O3S/c1-14(22)20-16-7-9-17(10-8-16)25(23,24)21-12-3-2-6-18(21)15-5-4-11-19-13-15/h4-5,7-11,13,18H,2-3,6,12H2,1H3,(H,20,22)

1 reference

Immune Epitope Database and Analysis Resource

CHEMBL1543973 (English)

12 October 2016

1 reference

1 reference

IEDB Epitope ID

539001