3-[2-(2,4-dimethylphenyl)sulfanylethylsulfonyl]propanamide

Systemtic Name: 3-[2-(2,4-dimethylphenyl)sulfanylethylsulfonyl]propanamide Openeye Name: 3-[2-(2,4-dimethylphenyl)sulfanylethylsulfonyl]propanamide CAS Name: 3-[2-[(2,4-dimethylphenyl)thio]ethylsulfonyl]propanamide IUPAC Name: 3-[2-(2,4-dimethylphenyl)sulfanylethylsulfonyl]propanamide Traditional Name: 3-[2-[(2,4-dimethylphenyl)thio]ethylsulfonyl]propionamide Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCS(=O)(=O)CCC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCCS(=O)(=O)CCC(=O)N)C

InChI

InChI=1S/C13H19NO3S2/c1-10-3-4-12(11(2)9-10)18-6-8-19(16,17)7-5-13(14)15/h3-4,9H,5-8H2,1-2H3,(H2,14,15)