[5-[[butan-2-yl-(4-butylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl-(4-butylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-butylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(4-butylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-butylbenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-butylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)CC

InChI

InChI=1S/C24H33NO5S/c1-6-8-9-19-10-13-21(14-11-19)24(26)25(18(3)7-2)17-20-12-15-22(29-4)23(16-20)30-31(5,27)28/h10-16,18H,6-9,17H2,1-5H3