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1-benzyl-N'-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carbohydrazide

1-benzyl-N'-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carbohydrazide

CAS: 478064-40-3

Formula: C22H29N3O3S

SMILES: CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NNC(=O)C1CCN(CC2=CC=CC=C2)CC1

IUPAC: 1-benzyl-N'-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carbohydrazide

InChI: InChI=1S/C22H29N3O3S/c1-16-13-17(2)21(18(3)14-16)29(27,28)24-23-22(26)20-9-11-25(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,24H,9-12,15H2,1-3H3,(H,23,26)

Composition: C (63.59%), H (7.03%), N (10.11%), O (11.55%), S (7.72%)

Molar Mass: 415.55

Atom Count: 58

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 415.19296298
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SUOMPPQLAHWIBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.54
Topological Polar Surface Area 78.51
Polarizability 45.38
Ring Count 3
Rotatable Bond Count 5

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