(2-azanyl-3,4,5-trimethoxy-phenyl)-morpholin-4-yl-methanone; 4-methylbenzenesulfonic acid

Systemtic Name: (2-azanyl-3,4,5-trimethoxy-phenyl)-morpholin-4-yl-methanone; 4-methylbenzenesulfonic acid Openeye Name: (2-amino-3,4,5-trimethoxy-phenyl)-morpholino-methanone; 4-methylbenzenesulfonic acid CAS Name: (2-amino-3,4,5-trimethoxyphenyl)-(4-morpholinyl)methanone; 4-methylbenzenesulfonic acid IUPAC Name: (2-amino-3,4,5-trimethoxyphenyl)-morpholin-4-ylmethanone; 4-methylbenzenesulfonic acid Traditional Name: (2-amino-3,4,5-trimethoxy-phenyl)-morpholino-methanone; tosylic acid Formula: C21H28N2O8S MolecularWeight: 468.52062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C(=C1)C(=O)N2CCOCC2)N)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C(=C1)C(=O)N2CCOCC2)N)OC)OC

InChI

InChI=1S/C14H20N2O5.C7H8O3S/c1-18-10-8-9(11(15)13(20-3)12(10)19-2)14(17)16-4-6-21-7-5-16;1-6-2-4-7(5-3-6)11(8,9)10/h8H,4-7,15H2,1-3H3;2-5H,1H3,(H,8,9,10)