[3-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(furan-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[furan-2-carbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(furan-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S/c1-4-14(3)19(18(20)17-10-7-11-23-17)13-15-8-6-9-16(12-15)24-25(21,22)5-2/h6-12,14H,4-5,13H2,1-3H3/t14-/m0/s1