[5-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[furan-2-carbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2S)-butan-2-yl]-[2-furanyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(furan-2-carbonyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-furoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-5-14(3)20(19(21)17-8-7-11-25-17)13-15-9-10-16(24-4)18(12-15)26-27(22,23)6-2/h7-12,14H,5-6,13H2,1-4H3/t14-/m0/s1