[5-[[furan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(2-phenylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(1-oxo-2-phenylbutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl(2-phenylbutanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C24H27NO6S/c1-4-21(19-9-6-5-7-10-19)24(26)25(17-20-11-8-14-30-20)16-18-12-13-22(29-2)23(15-18)31-32(3,27)28/h5-15,21H,4,16-17H2,1-3H3