736146-17-1
4-(4-[(4-METHYLPHENYL)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
Name4-(4-[(4-METHYLPHENYL)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
1Identification
【Name】
4-(4-[(4-METHYLPHENYL)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD03989646
【English Synonyms】
【Formula】
C15 H20 N2 O5 S
【MolWeight】
340.398
【Inchi】
InChI=1S/C15H20N2O5S/c1-12-2-4-13(5-3-12)23(21,22)17-10-8-16(9-11-17)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
【InChIKey】
InChIKey=BEKZSJOPYQGNLS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O
【MOL File】
4-(4-[(4-METHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-[(4-METHYLPHENYL)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID.cml