1,1-Dimethylethyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate

CAS Registry Number®

887593-72-8

CAS Name

1,1-Dimethylethyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate

Molecular Formula

C15H18N2O4S

Molecular Mass

322.38

Cite this Page

1,1-Dimethylethyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=887593-72-8 (retrieved 2024-11-04) (CAS RN: 887593-72-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H18N2O4S/c1-15(2,3)21-14(18)17-9-13(10-17)22(19,20)12-6-4-5-11(7-12)8-16/h4-7,13H,9-10H2,1-3H3

InChIKey

InChIKey=XTNHGYVXPJTTQY-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1CN(C(OC(C)(C)C)=O)C1)C2=CC(C#N)=CC=C2

Canonical SMILES

N#CC1=CC=CC(=C1)S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2

Other Names for this Substance

  • 1-Azetidinecarboxylic acid, 3-[(3-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate

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