568570-06-9
4-(4-[(2,4-DIMETHYLBENZENE)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
Name4-(4-[(2,4-DIMETHYLBENZENE)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
1Identification
【Name】
4-(4-[(2,4-DIMETHYLBENZENE)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD04606906
【English Synonyms】
【Formula】
C16 H22 N2 O5 S
【MolWeight】
354.425
【Inchi】
InChI=1S/C16H22N2O5S/c1-12-3-4-14(13(2)11-12)24(22,23)18-9-7-17(8-10-18)15(19)5-6-16(20)21/h3-4,11H,5-10H2,1-2H3,(H,20,21)
【InChIKey】
InChIKey=LPEIOVWARWTGQC-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O
【MOL File】
4-(4-[(2,4-DIMETHYLB….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-[(2,4-DIMETHYLBENZENE)SULFONYL]PIPERAZIN-1-YL)-4-OXOBUTANOIC ACID.cml