4-methylbenzenesulfonic acid; N-(3-morpholin-4-yl-1-oxidanylidene-1-phenyl-propan-2-yl)ethanamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-(3-morpholin-4-yl-1-oxidanylidene-1-phenyl-propan-2-yl)ethanamide Openeye Name: 4-methylbenzenesulfonic acid; N-[1-(morpholinomethyl)-2-oxo-2-phenyl-ethyl]acetamide CAS Name: 4-methylbenzenesulfonic acid; N-[3-(4-morpholinyl)-1-oxo-1-phenylpropan-2-yl]acetamide IUPAC Name: 4-methylbenzenesulfonic acid; N-(3-morpholin-4-yl-1-oxo-1-phenylpropan-2-yl)acetamide Traditional Name: N-[2-keto-1-(morpholinomethyl)-2-phenyl-ethyl]acetamide; tosylic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC(CN1CCOCC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC(CN1CCOCC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3.C7H8O3S/c1-12(18)16-14(11-17-7-9-20-10-8-17)15(19)13-5-3-2-4-6-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,14H,7-11H2,1H3,(H,16,18);2-5H,1H3,(H,8,9,10)