[4-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[furan-2-carbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(furan-2-carbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CO2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CO2

InChI

InChI=1S/C17H21NO5S/c1-4-13(2)18(17(19)16-6-5-11-22-16)12-14-7-9-15(10-8-14)23-24(3,20)21/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1