1442121-96-1
1,4-Piperidinedicarboxylic acid, 4-[(4-phenoxyphenyl)sulfonyl]-, 4-methyl 1-(phenylmethyl) ester
Name1,4-Piperidinedicarboxylic acid, 4-[(4-phenoxyphenyl)sulfonyl]-, 4-methyl 1-(phenylmethyl) ester
1Identification
【Name】
1,4-Piperidinedicarboxylic acid, 4-[(4-phenoxyphenyl)sulfonyl]-, 4-methyl 1-(phenylmethyl) ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C27H27NO7S
【MolWeight】
509.571
【Inchi】
InChI=1S/C27H27NO7S/c1-33-25(29)27(16-18-28(19-17-27)26(30)34-20-21-8-4-2-5-9-21)36(31,32)24-14-12-23(13-15-24)35-22-10-6-3-7-11-22/h2-15H,16-20H2,1H3
【InChIKey】
InChIKey=NSGZQVFOMMGEIG-UHFFFAOYSA-N
【SMILES】
O(C1=CC=CC=C1)C1=CC=C(C=C1)S(=O)(=O)C1(CCN(CC1)C(=O)OCC1=CC=CC=C1)C(=O)OC
【MOL File】
1,4-Piperidinedicarb….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
1,4-Piperidinedicarboxylic acid, 4-[(4-phenoxyphenyl)sulfonyl]-, 4-methyl 1-(phenylmethyl) ester.cml