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

Systemtic Name: 2-ethyl-5-methylsulfonyl-benzoyl chloride; 4-methylaniline Openeye Name: 2-ethyl-5-methylsulfonyl-benzoyl chloride; 4-methylaniline CAS Name: 2-ethyl-5-methylsulfonylbenzoyl chloride; 4-methylaniline IUPAC Name: 2-ethyl-5-methylsulfonylbenzoyl chloride; 4-methylaniline Traditional Name: 2-ethyl-5-mesyl-benzoyl chloride; p-toluidine Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)Cl.CC1=CC=C(C=C1)N

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)Cl.CC1=CC=C(C=C1)N

InChI

InChI=1S/C10H11ClO3S.C7H9N/c1-3-7-4-5-8(15(2,13)14)6-9(7)10(11)12;1-6-2-4-7(8)5-3-6/h4-6H,3H2,1-2H3;2-5H,8H2,1H3