4-methylbenzenesulfonic acid; 4-[2-(4-methylphenyl)sulfonylethyl]morpholine

Systemtic Name: 4-methylbenzenesulfonic acid; 4-[2-(4-methylphenyl)sulfonylethyl]morpholine Openeye Name: 4-methylbenzenesulfonic acid; 4-[2-(p-tolylsulfonyl)ethyl]morpholine CAS Name: 4-methylbenzenesulfonic acid; 4-[2-(4-methylphenyl)sulfonylethyl]morpholine IUPAC Name: 4-methylbenzenesulfonic acid; 4-[2-(4-methylphenyl)sulfonylethyl]morpholine Traditional Name: 4-(2-tosylethyl)morpholine; tosylic acid Formula: C20H27NO6S2 MolecularWeight: 441.56148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2CCOCC2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2CCOCC2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H19NO3S.C7H8O3S/c1-12-2-4-13(5-3-12)18(15,16)11-8-14-6-9-17-10-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,6-11H2,1H3;2-5H,1H3,(H,8,9,10)