methanesulfonamide; 4-(3-methylphenyl)butan-2-one

Systemtic Name: methanesulfonamide; 4-(3-methylphenyl)butan-2-one Openeye Name: methanesulfonamide; 4-(m-tolyl)butan-2-one CAS Name: methanesulfonamide; 4-(3-methylphenyl)-2-butanone IUPAC Name: methanesulfonamide; 4-(3-methylphenyl)butan-2-one Traditional Name: methanesulfonamide; 4-(m-tolyl)butan-2-one Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O.CH5NO2S/c1-9-4-3-5-11(8-9)7-6-10(2)12;1-5(2,3)4/h3-5,8H,6-7H2,1-2H3;1H3,(H2,2,3,4)