[1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)ethyl] methanesulfonate

Systemtic Name: [1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)ethyl] methanesulfonate Openeye Name: [1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)ethyl] methanesulfonate CAS Name: methanesulfonic acid [1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)ethyl] ester IUPAC Name: [1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)ethyl] methanesulfonate Traditional Name: methanesulfonic acid [1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)ethyl] ester Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OS(=O)(=O)C)OC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OS(=O)(=O)C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C27H33NO5S/c1-19-7-12-22(13-8-19)31-24-16-11-21(17-25(24)32-23-14-9-20(2)10-15-23)26(33-34(6,29)30)18-28-27(3,4)5/h7-17,26,28H,18H2,1-6H3