[5-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[dimethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-[dimethylamino(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[dimethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C16H26N2O5S MolecularWeight: 358.45304

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O5S/c1-7-12(2)18(16(19)17(3)4)11-13-8-9-14(22-5)15(10-13)23-24(6,20)21/h8-10,12H,7,11H2,1-6H3/t12-/m0/s1