N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine; methyl 4-methylbenzenesulfonate

Systemtic Name: N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine; methyl 4-methylbenzenesulfonate Openeye Name: N'-cyclohexyl-N-(2-morpholinoethyl)methanediimine; methyl 4-methylbenzenesulfonate CAS Name: N'-cyclohexyl-N-[2-(4-morpholinyl)ethyl]methanediimine; 4-methylbenzenesulfonic acid methyl ester IUPAC Name: N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine; methyl 4-methylbenzenesulfonate Traditional Name: cyclohexyl(2-morpholinoethyliminomethylene)amine; 4-methylbenzenesulfonic acid methyl ester Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC.C1CCC(CC1)N=C=NCCN2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC.C1CCC(CC1)N=C=NCCN2CCOCC2

InChI

InChI=1S/C13H23N3O.C8H10O3S/c1-2-4-13(5-3-1)15-12-14-6-7-16-8-10-17-11-9-16;1-7-3-5-8(6-4-7)12(9,10)11-2/h13H,1-11H2;3-6H,1-2H3