Formula |
C23H26N4O5S |
IUPAC Name |
ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate |
Molecular Mass |
470.541 g·mol−1 |
Heat of Formation |
-629.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.79 ± 1.08 D |
Volume |
542.33 Å 3 |
Surface Area |
469.95 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-cyano-2-methyl-6-[4-[oxo-(phenylmethylsulfonylamino)methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester
- 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methyl-nicotinic acid ethyl ester
- ethyl 5-cyano-2-methyl-6-[4-(phenylmethylsulfonylcarbamoyl)-1-piperidyl]pyridine-3-carboxylate
- ethyl 5-cyano-2-methyl-6-[4-(phenylmethylsulfonylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate
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InChIKey |
NEMHKCNXXRQYRF-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
S
O
N
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