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

Systemtic Name: [5-[[butan-2-yl(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[furan-2-carbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[butan-2-yl(furan-2-carbonyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[2-furoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S/c1-6-15(4)21(20(22)18-8-7-11-26-18)13-16-9-10-17(25-5)19(12-16)27-28(23,24)14(2)3/h7-12,14-15H,6,13H2,1-5H3