[5-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[furan-2-carbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[furan-2-carbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[2-furoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-13(2)20(19(21)17-7-6-10-25-17)12-15-8-9-16(24-5)18(11-15)26-27(22,23)14(3)4/h6-11,13-14H,12H2,1-5H3