854035-90-8
1-(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06655209
【English Synonyms】
【Formula】
C16 H23 N3 O6 S
【MolWeight】
385.439
【Inchi】
InChI=1S/C16H23N3O6S/c1-3-18(4-2)26(24,25)13-5-6-14(15(11-13)19(22)23)17-9-7-12(8-10-17)16(20)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21)
【InChIKey】
InChIKey=ZGUXCJWOOOTRNN-UHFFFAOYSA-N
【SMILES】
CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N2CCC(CC2)C(=O)O
【MOL File】
1-(4-[(DIETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-[(DIETHYLAMINO)SULFONYL]-2-NITROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID.cml