951625-05-1
ETHYL 1-(2-METHYLSULFONYL-4-NITROPHENYL)PIPERIDINE-4-CARBOXYLATE
NameETHYL 1-(2-METHYLSULFONYL-4-NITROPHENYL)PIPERIDINE-4-CARBOXYLATE
pro_formulaC15 H20 N2 O6 S
1Identification
【Name】
ETHYL 1-(2-METHYLSULFONYL-4-NITROPHENYL)PIPERIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD08704871
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H20 N2 O6 S
【pro_molWeight】
356.397
【Inchi】
InChI=1S/C15H20N2O6S/c1-3-23-15(18)11-6-8-16(9-7-11)13-5-4-12(17(19)20)10-14(13)24(2,21)22/h4-5,10-11H,3,6-9H2,1-2H3
【InChIKey】
InChIKey=YYJQEZKEFSITKC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1CCN(CC1)c2ccc(cc2S(=O)(=O)C)[N+](=O)[O-]
【MOL File】
ETHYL 1-(2-METHYLSUL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 1-(2-METHYLSULFONYL-4-NITROPHENYL)PIPERIDINE-4-CARBOXYLATE.cml