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

Systemtic Name: [4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] benzenesulfonate Openeye Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl] ester IUPAC Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO5S/c1-32-25-15-9-8-14-24(25)26(29)28-20-27(21-10-4-2-5-11-21)18-16-22(17-19-27)33-34(30,31)23-12-6-3-7-13-23/h2-15,22H,16-20H2,1H3,(H,28,29)