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

Systemtic Name: [4-[[oxolan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-phenylbutanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-phenylbutanoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H29NO5S/c1-3-22(19-8-5-4-6-9-19)23(25)24(17-21-10-7-15-28-21)16-18-11-13-20(14-12-18)29-30(2,26)27/h4-6,8-9,11-14,21-22H,3,7,10,15-17H2,1-2H3