4-methylbenzenesulfonamide; methyl 2-sulfanylpropanoate

Systemtic Name: 4-methylbenzenesulfonamide; methyl 2-sulfanylpropanoate Openeye Name: 4-methylbenzenesulfonamide; methyl 2-sulfanylpropanoate CAS Name: 2-mercaptopropanoic acid methyl ester; 4-methylbenzenesulfonamide IUPAC Name: 4-methylbenzenesulfonamide; methyl 2-sulfanylpropanoate Traditional Name: 2-mercaptopropionic acid methyl ester; 4-methylbenzenesulfonamide Formula: C11H17NO4S2 MolecularWeight: 291.38698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO2S.C4H8O2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(7)4(5)6-2/h2-5H,1H3,(H2,8,9,10);3,7H,1-2H3