[4-(5-methyl-1,3-benzoxazol-2-yl)-2-(morpholin-4-ylmethyl)phenyl] methanesulfonate

Systemtic Name: [4-(5-methyl-1,3-benzoxazol-2-yl)-2-(morpholin-4-ylmethyl)phenyl] methanesulfonate Openeye Name: [4-(5-methyl-1,3-benzoxazol-2-yl)-2-(morpholinomethyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(5-methyl-1,3-benzoxazol-2-yl)-2-(4-morpholinylmethyl)phenyl] ester IUPAC Name: [4-(5-methyl-1,3-benzoxazol-2-yl)-2-(morpholin-4-ylmethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-methyl-1,3-benzoxazol-2-yl)-2-(morpholinomethyl)phenyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)C)CN4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)C)CN4CCOCC4

InChI

InChI=1S/C20H22N2O5S/c1-14-3-5-19-17(11-14)21-20(26-19)15-4-6-18(27-28(2,23)24)16(12-15)13-22-7-9-25-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3