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

Systemtic Name: [5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(tert-butylamino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC(C)(C)C

InChI

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