[2-methoxy-5-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(4-phenylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO5S/c1-19(2)17-27(18-20-10-15-24(31-3)25(16-20)32-33(4,29)30)26(28)23-13-11-22(12-14-23)21-8-6-5-7-9-21/h5-16,19H,17-18H2,1-4H3