[4-[[oxolan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[oxolan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-phenylbenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl-(4-phenylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-phenylbenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c1-33(29,30)32-24-15-9-20(10-16-24)18-27(19-25-8-5-17-31-25)26(28)23-13-11-22(12-14-23)21-6-3-2-4-7-21/h2-4,6-7,9-16,25H,5,8,17-19H2,1H3