N-(2-methylphenyl)-N'-methylsulfonyl-butanediamide

Systemtic Name: N-(2-methylphenyl)-N'-methylsulfonyl-butanediamide Openeye Name: N'-methylsulfonyl-N-(o-tolyl)butanediamide CAS Name: N-(2-methylphenyl)-N'-methylsulfonylbutanediamide IUPAC Name: N-(2-methylphenyl)-N'-methylsulfonylbutanediamide Traditional Name: N'-mesyl-N-(o-tolyl)succinamide Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C12H16N2O4S/c1-9-5-3-4-6-10(9)13-11(15)7-8-12(16)14-19(2,17)18/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)