4-methylaniline; 2-methyl-5-methylsulfonyl-benzoyl chloride

Systemtic Name: 4-methylaniline; 2-methyl-5-methylsulfonyl-benzoyl chloride Openeye Name: 4-methylaniline; 2-methyl-5-methylsulfonyl-benzoyl chloride CAS Name: 4-methylaniline; 2-methyl-5-methylsulfonylbenzoyl chloride IUPAC Name: 4-methylaniline; 2-methyl-5-methylsulfonylbenzoyl chloride Traditional Name: 5-mesyl-2-methyl-benzoyl chloride; p-toluidine Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N.CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)Cl

InChI

InChI=1S/C9H9ClO3S.C7H9N/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11;1-6-2-4-7(8)5-3-6/h3-5H,1-2H3;2-5H,8H2,1H3