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ethyl 4-(4-chlorobenzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

ethyl 4-(4-chlorobenzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

CAS: 866150-04-1

Formula: C21H23Cl2NO4S

SMILES: CCOC(=O)C1(CCN(CC2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: ethyl 4-(4-chlorobenzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

InChI: InChI=1S/C21H23Cl2NO4S/c1-2-28-20(25)21(29(26,27)19-9-7-18(23)8-10-19)11-13-24(14-12-21)15-16-3-5-17(22)6-4-16/h3-10H,2,11-15H2,1H3

Composition: C (55.27%), H (5.08%), Cl (15.54%), N (3.07%), O (14.02%), S (7.02%)

Molar Mass: 456.38

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 455.0724848
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey SLDHMWQQBRXOPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.13
Topological Polar Surface Area 63.68
Polarizability 45.98
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866150-04-1 $51.35-$86.31$51.35$63.37$86.31
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