2-[(4-methylsulfanylphenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[(4-methylsulfanylphenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[(4-methylsulfanylphenyl)methylammonio]ethyl-methylsulfonyl-azanide CAS Name: methylsulfonyl-[2-[[4-(methylthio)phenyl]methylammonio]ethyl]azanide IUPAC Name: 2-[(4-methylsulfanylphenyl)methylazaniumyl]ethyl-methylsulfonylazanide Traditional Name: mesyl-[2-[[4-(methylthio)benzyl]ammonio]ethyl]azanide Formula: C11H18N2O2S2 MolecularWeight: 274.40282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C11H17N2O2S2/c1-16-11-5-3-10(4-6-11)9-12-7-8-13-17(2,14)15/h3-6,12H,7-9H2,1-2H3/q-1/p+1