N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide sulfate

Systemtic Name: N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide sulfate Openeye Name: N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide sulfate CAS Name: N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide sulfate IUPAC Name: N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide sulfate Traditional Name: N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propionamide sulfate Formula: C14H22N2O6S2-2 MolecularWeight: 378.46428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(C)NCCS(=O)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(C)NCCS(=O)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H22N2O2S.H2O4S/c1-4-12-7-5-6-8-13(12)16-14(17)11(2)15-9-10-19(3)18;1-5(2,3)4/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17);(H2,1,2,3,4)/p-2