Free Chemical Databases
-
[Synonyms]
NSC126965
[Structure]
[ Properties Computed from Structure]
Molecular Weight 254.34852 [g/mol] Molecular Formula C12H18N2O2S XLogP 3 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 4 Exact Mass 254.108899 MonoIsotopic Mass 254.108899 Topological Polar Surface Area 58.5 Heavy Atom Count 17 Formal Charge 0 Complexity 368 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-(3,3-dimethylbutan-2-ylideneamino)benzenesulfonamide
Canonical SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1)C(C)(C)C
InChI: InChI=1/C12H18N2O2S/c1-10(12(2,3)4)13-14-17(15,16)11-8-6-5-7-9-11/h5-9,
14H,1-4H3
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