3-[(2,5-dimethylphenyl)methylsulfonyl]propanamide

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfonyl]propanamide Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfonyl]propanamide CAS Name: 3-[(2,5-dimethylphenyl)methylsulfonyl]propanamide IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfonyl]propanamide Traditional Name: 3-(2,5-dimethylbenzyl)sulfonylpropionamide Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-9-3-4-10(2)11(7-9)8-17(15,16)6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H2,13,14)