[4-[[2,2-diphenylethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2,2-diphenylethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(1-oxo-2,2-diphenylethyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,2-diphenylacetyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,2-diphenylacetyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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