2-[[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]oxycarbonylamino]ethyl phenylmethanesulfonate

Systemtic Name: 2-[[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]oxycarbonylamino]ethyl phenylmethanesulfonate Openeye Name: 2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexoxy]carbonylamino]ethyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid 2-[[[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]oxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid 2-[[4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexoxy]carbonylamino]ethyl ester Formula: C31H36N2O7S MolecularWeight: 580.69174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OC(=O)NCCOS(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OC(=O)NCCOS(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N2O7S/c1-38-28-15-9-8-14-27(28)29(34)33-23-31(25-12-6-3-7-13-25)18-16-26(17-19-31)40-30(35)32-20-21-39-41(36,37)22-24-10-4-2-5-11-24/h2-15,26H,16-23H2,1H3,(H,32,35)(H,33,34)