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

Systemtic Name: [5-[[[(2S)-butan-2-yl]-cyclopropylcarbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-[cyclopropyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(cyclopropanecarbonyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C17H25NO5S MolecularWeight: 355.4491

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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)C2CC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2CC2

InChI

InChI=1S/C17H25NO5S/c1-5-12(2)18(17(19)14-7-8-14)11-13-6-9-15(22-3)16(10-13)23-24(4,20)21/h6,9-10,12,14H,5,7-8,11H2,1-4H3/t12-/m0/s1