[5-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2R)-butan-2-yl]-[butylamino(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCCCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)[C@H](C)CC

InChI

InChI=1S/C18H30N2O5S/c1-6-8-11-19-18(21)20(14(3)7-2)13-15-9-10-16(24-4)17(12-15)25-26(5,22)23/h9-10,12,14H,6-8,11,13H2,1-5H3,(H,19,21)/t14-/m1/s1