[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] methanesulfonate

Systemtic Name: [4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] methanesulfonate Openeye Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl] ester IUPAC Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO5S/c1-27-20-11-7-6-10-19(20)21(24)23-16-22(17-8-4-3-5-9-17)14-12-18(13-15-22)28-29(2,25)26/h3-11,18H,12-16H2,1-2H3,(H,23,24)