560995-22-4
4-[4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL]-4-OXOBUTANOIC ACID
Name
4-[4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL]-4-OXOBUTANOIC ACID
Formula
C14 H17 Cl N2 O5 S
MolWeight
360.816
1Identification
【Name】
4-[4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL]-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD00973895
【English Synonyms】
【Formula】
C14 H17 Cl N2 O5 S
【MolWeight】
360.816
【Inchi】
InChI=1S/C14H17ClN2O5S/c15-11-1-3-12(4-2-11)23(21,22)17-9-7-16(8-10-17)13(18)5-6-14(19)20/h1-4H,5-10H2,(H,19,20)
【InChIKey】
InChIKey=NRUGVPOQQGHVOC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O)Cl
【MOL File】
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-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL]-4-OXOBUTANOIC ACID.cml
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Catalog No:HCH0059966 5G
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