主记录
DB-361773
- CAS
- 1072344-57-0
- PubChem CID
- 68722122
- SMILES
- C1CCN(C(C1)COCC(=O)O)S(=O)(=O)C2=CC=CC=C2C#N
- 分子式
- C15H18N2O5S
- 分子量
- 338.385
- 精确分子量
- 338.0936
- InChI
- InChI=1S/C15H18N2O5S/c16-9-12-5-1-2-7-14(12)23(20,21)17-8-4-3-6-13(17)10-22-11-15(18)19/h1-2,5,7,13H,3-4,6,8,10-11H2,(H,18,19)
- InChIKey
- JQKBMDSONKXJAB-UHFFFAOYSA-N
- LogP
- 1.2027
- TPSA
- 107.7
名称与别名
- SCHEMBL3636050
- DB-361773
- 4-[(2-Cyanoacetyl)amino]benzoic acid methyl ester
- ((1-[(2-cyanophenyl)sulfonyl]piperidin-2-yl)methoxy)acetic acid
- 1072344-57-0